LCPQ
/
quantum_package
mirror of https://github.com/LCPQ/quantum_package
10
0
Fork 0
Code Issues Releases Wiki Activity

Added checked inputs for tests.

This commit is contained in:
Anthony Scemama 2014-04-07 00:39:18 +02:00
parent 796394d798
commit 550547e54b
214 changed files with 4225 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

20
data/inputs/Al+.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
808031ee533705b5cac58056ebd3b5c4 Al+.out.ezfio/ao_basis/ao_coef.gz
61eead7d1de1b73337744006ba5e6822 Al+.out.ezfio/ao_basis/ao_expo.gz
5353d95a83852faf20b455ad57b8311d Al+.out.ezfio/ao_basis/ao_nucl.gz
a62103800a061f58b2b696f7c5119e54 Al+.out.ezfio/ao_basis/ao_num
26415ea601770312cffb3a9d4223b8e1 Al+.out.ezfio/ao_basis/ao_power.gz
ea33607dca68f44c74b4060a7eeff95f Al+.out.ezfio/ao_basis/ao_prim_num.gz
503018260a2f6fc8557fcf29300fa8bb Al+.out.ezfio/electrons/elec_alpha_num
503018260a2f6fc8557fcf29300fa8bb Al+.out.ezfio/electrons/elec_beta_num
3f708499876f92eaf350d3ac7d89d18c Al+.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf Al+.out.ezfio/ezfio/library
51a89607357b1309bda52b2943f25bae Al+.out.ezfio/mo_basis/mo_coef.gz
23f6643104f2206a9e692fecc16d1fdf Al+.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 Al+.out.ezfio/mo_basis/mo_label
b947b4b19c1a6fa724d465545f17cb20 Al+.out.ezfio/mo_basis/mo_occ.gz
0b99523d4e44508cf890355dae0d09c8 Al+.out.ezfio/mo_basis/mo_symmetry.gz
dcb3ca24a097368c672b71dcd834777b Al+.out.ezfio/mo_basis/mo_tot_num
0ce1b7570cd7f051ba332295d37740f8 Al+.out.ezfio/nuclei/nucl_charge.gz
3316d1f857fcbd7039fdf2f4f6c1f968 Al+.out.ezfio/nuclei/nucl_coord.gz
765e1f05dd3fbab8c7ebefaf2f1813e4 Al+.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b Al+.out.ezfio/output/empty

20
data/inputs/Al.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
49b9859a17c832f9c3c88e5de7aa8a8f Al.out.ezfio/ao_basis/ao_coef.gz
1b65b4300b89a524fde262186992360c Al.out.ezfio/ao_basis/ao_expo.gz
ff29b4c130a9be9e088373cbce69946c Al.out.ezfio/ao_basis/ao_nucl.gz
a62103800a061f58b2b696f7c5119e54 Al.out.ezfio/ao_basis/ao_num
4116b0901efa62066295a24955bb9fe7 Al.out.ezfio/ao_basis/ao_power.gz
d5e7ff32e3ac9f00c9486c6e7d2bff90 Al.out.ezfio/ao_basis/ao_prim_num.gz
4e94260b47ac90ce146cf693b6ea796f Al.out.ezfio/electrons/elec_alpha_num
503018260a2f6fc8557fcf29300fa8bb Al.out.ezfio/electrons/elec_beta_num
3f708499876f92eaf350d3ac7d89d18c Al.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf Al.out.ezfio/ezfio/library
69f1046d6169328fa0fe752b9b49d8e3 Al.out.ezfio/mo_basis/mo_coef.gz
9c12e0ef723ccad3562fea5c3650449a Al.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 Al.out.ezfio/mo_basis/mo_label
57b079098401b16dc65d50f245739db0 Al.out.ezfio/mo_basis/mo_occ.gz
d10413c320efe15d424a9c97577f7437 Al.out.ezfio/mo_basis/mo_symmetry.gz
dcb3ca24a097368c672b71dcd834777b Al.out.ezfio/mo_basis/mo_tot_num
f720bec5832863a8b5b9cfdd02795b71 Al.out.ezfio/nuclei/nucl_charge.gz
6a117982fbbeb4b93874797cdbf738c1 Al.out.ezfio/nuclei/nucl_coord.gz
765e1f05dd3fbab8c7ebefaf2f1813e4 Al.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b Al.out.ezfio/output/empty

20
data/inputs/AlCl.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
84e769cf436344ba7e9c60ca44235ff3 AlCl.out.ezfio/ao_basis/ao_coef.gz
85c1c07e11160f2ef30940cb44a39447 AlCl.out.ezfio/ao_basis/ao_expo.gz
0723e3a611dfac34e4ca7c888fe52b74 AlCl.out.ezfio/ao_basis/ao_nucl.gz
2d176e3fd2a2bc8ed352f827d87ded6b AlCl.out.ezfio/ao_basis/ao_num
719fa6526e650d08811f55e92fdbdc9f AlCl.out.ezfio/ao_basis/ao_power.gz
867d90cf47891dc0416e193952307dde AlCl.out.ezfio/ao_basis/ao_prim_num.gz
8d835c17bb93dc4b67ed4ec1d7197ffa AlCl.out.ezfio/electrons/elec_alpha_num
8d835c17bb93dc4b67ed4ec1d7197ffa AlCl.out.ezfio/electrons/elec_beta_num
9569f8f5828e3527bd67ad24927b623d AlCl.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf AlCl.out.ezfio/ezfio/library
e05d99e088f3a279b780f075cccdc8b4 AlCl.out.ezfio/mo_basis/mo_coef.gz
20c3a0c1db6a9c675792a29e095ec120 AlCl.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 AlCl.out.ezfio/mo_basis/mo_label
fbec817ac69df9f5dbe6bbc226eb9b2d AlCl.out.ezfio/mo_basis/mo_occ.gz
b77ba514cac9f6a45f3996393368a097 AlCl.out.ezfio/mo_basis/mo_symmetry.gz
3e24e6b8b60686ba6ce4cb31d06228c3 AlCl.out.ezfio/mo_basis/mo_tot_num
f882ff142b5f4803c31f3acf936a0f91 AlCl.out.ezfio/nuclei/nucl_charge.gz
4ffcc8c9641961dbe2c4dc74e6a90383 AlCl.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 AlCl.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b AlCl.out.ezfio/output/empty

20
data/inputs/AlH.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
69d14e2180dce0c28ad8e7e85146f3f4 AlH.out.ezfio/ao_basis/ao_coef.gz
a05e5c75a51bee8a0bc12e7d1addcb43 AlH.out.ezfio/ao_basis/ao_expo.gz
c688aa87445047cd2a98b131dcf12ac1 AlH.out.ezfio/ao_basis/ao_nucl.gz
451c4341193e051f7bce31747b7857ac AlH.out.ezfio/ao_basis/ao_num
f3a03d7cee2d34fa7b2e164c52323c27 AlH.out.ezfio/ao_basis/ao_power.gz
06f5ee68fe9c8b9bb41a021f335cb9d9 AlH.out.ezfio/ao_basis/ao_prim_num.gz
4e94260b47ac90ce146cf693b6ea796f AlH.out.ezfio/electrons/elec_alpha_num
4e94260b47ac90ce146cf693b6ea796f AlH.out.ezfio/electrons/elec_beta_num
3f708499876f92eaf350d3ac7d89d18c AlH.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf AlH.out.ezfio/ezfio/library
33cbfdd07a54335535f407716f2ef525 AlH.out.ezfio/mo_basis/mo_coef.gz
8cdd48d4564cb00b60c9cdde9e475b04 AlH.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 AlH.out.ezfio/mo_basis/mo_label
fe893bcdb44b70c37a194d653a7a1955 AlH.out.ezfio/mo_basis/mo_occ.gz
19f9a04a19ca8e9b80a6100704890359 AlH.out.ezfio/mo_basis/mo_symmetry.gz
5a0298ddca255c2e8163c30b11fd397e AlH.out.ezfio/mo_basis/mo_tot_num
2170c2f21555a3cb1f5181b319b50682 AlH.out.ezfio/nuclei/nucl_charge.gz
b0f7811884bac9626cbe71e9f8da4e47 AlH.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 AlH.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b AlH.out.ezfio/output/empty

20
data/inputs/AlH2.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
a58fd6bb4331a4d76634db5765ae7681 AlH2.out.ezfio/ao_basis/ao_coef.gz
d6dfef0dbc791d3ee790bed0b509ee0d AlH2.out.ezfio/ao_basis/ao_expo.gz
a2cbaee8b80b02d356304c3d5b0275f5 AlH2.out.ezfio/ao_basis/ao_nucl.gz
4060e3d8c144f496022427a2c22aeb85 AlH2.out.ezfio/ao_basis/ao_num
bb4c604c6385245d5771e01a74605bd9 AlH2.out.ezfio/ao_basis/ao_power.gz
5edb8dd9fd5e3a43b30fe08044af641f AlH2.out.ezfio/ao_basis/ao_prim_num.gz
6156a0908e61aaf7a450978fcd37322d AlH2.out.ezfio/electrons/elec_alpha_num
4e94260b47ac90ce146cf693b6ea796f AlH2.out.ezfio/electrons/elec_beta_num
9569f8f5828e3527bd67ad24927b623d AlH2.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf AlH2.out.ezfio/ezfio/library
2e5f7a4ceb71f882ad395a51e78259c0 AlH2.out.ezfio/mo_basis/mo_coef.gz
0ee3631c1b2742becba9eda4c94a541e AlH2.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 AlH2.out.ezfio/mo_basis/mo_label
ea0f7a73813afb98d09cfebc57b95fb3 AlH2.out.ezfio/mo_basis/mo_occ.gz
31665b4dabfc9616073a67553d5031b5 AlH2.out.ezfio/mo_basis/mo_symmetry.gz
86ab60aaf6bd682019491d338a44e5f2 AlH2.out.ezfio/mo_basis/mo_tot_num
96073fdf43dbb00a9a6ac156bc74ecf9 AlH2.out.ezfio/nuclei/nucl_charge.gz
66bd137f35a4e7a6b7932f28f429d8de AlH2.out.ezfio/nuclei/nucl_coord.gz
fc7192d47339d0d2b75886b578c1b041 AlH2.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b AlH2.out.ezfio/output/empty

20
data/inputs/AlH3.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
2c7789d5600d762a7243f9a0c4ddbef4 AlH3.out.ezfio/ao_basis/ao_coef.gz
8f0c00f4b66e61939f0afeb8bcf74fcd AlH3.out.ezfio/ao_basis/ao_expo.gz
1038a6334b26ec0c2d97f4dc329868f4 AlH3.out.ezfio/ao_basis/ao_nucl.gz
3684cba18cb251696e3efbe2a411ff51 AlH3.out.ezfio/ao_basis/ao_num
9f712ff9ae81d29a1c3ca99f7c1db9c1 AlH3.out.ezfio/ao_basis/ao_power.gz
b3e1e7bb714914f7a9fd4ef6eecad618 AlH3.out.ezfio/ao_basis/ao_prim_num.gz
6156a0908e61aaf7a450978fcd37322d AlH3.out.ezfio/electrons/elec_alpha_num
6156a0908e61aaf7a450978fcd37322d AlH3.out.ezfio/electrons/elec_beta_num
9569f8f5828e3527bd67ad24927b623d AlH3.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf AlH3.out.ezfio/ezfio/library
70342b1eae0d189fb0a02fd1ecff4d86 AlH3.out.ezfio/mo_basis/mo_coef.gz
851622559d69b955258dd5359be833c7 AlH3.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 AlH3.out.ezfio/mo_basis/mo_label
7fcfb252b8f7de761524042693c78e72 AlH3.out.ezfio/mo_basis/mo_occ.gz
6571aece76594c6d86d1b63ef096fc43 AlH3.out.ezfio/mo_basis/mo_symmetry.gz
6d565b356be2a29b033f88669e83ea32 AlH3.out.ezfio/mo_basis/mo_tot_num
5b49c57d9de4d150adccbd219689a636 AlH3.out.ezfio/nuclei/nucl_charge.gz
3d9ac71b37bafdc9d42f94f1e7c7ab07 AlH3.out.ezfio/nuclei/nucl_coord.gz
a5ae057cdae95f3930403204a9c9cbe2 AlH3.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b AlH3.out.ezfio/output/empty

20
data/inputs/B+.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
b1308437df680fa582d5da1ee2c0f86f B+.out.ezfio/ao_basis/ao_coef.gz
f7635dbf9aff2f9f3331a7bae0b2d0c9 B+.out.ezfio/ao_basis/ao_expo.gz
fa533bf7574bba384b7c3e367411f24b B+.out.ezfio/ao_basis/ao_nucl.gz
8d835c17bb93dc4b67ed4ec1d7197ffa B+.out.ezfio/ao_basis/ao_num
91a980b756503a213a834b839006e2e3 B+.out.ezfio/ao_basis/ao_power.gz
2551a4ea2cf79a6490511086936f37da B+.out.ezfio/ao_basis/ao_prim_num.gz
b8d55a162b3e0811e1c93a1c6f157817 B+.out.ezfio/electrons/elec_alpha_num
b8d55a162b3e0811e1c93a1c6f157817 B+.out.ezfio/electrons/elec_beta_num
c2202610eab49ae435efb531fc90cb8b B+.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf B+.out.ezfio/ezfio/library
c228cfbb8bee0dbea080134e0fbe16db B+.out.ezfio/mo_basis/mo_coef.gz
749392aabafe54e33c7c27321d29dba2 B+.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 B+.out.ezfio/mo_basis/mo_label
a58e5756a139a20120fe142429417835 B+.out.ezfio/mo_basis/mo_occ.gz
4ce459105f32b1188248da9dbf5de4bf B+.out.ezfio/mo_basis/mo_symmetry.gz
757c9248d7ddb2778d3df1b1ba938d15 B+.out.ezfio/mo_basis/mo_tot_num
24afde15a4e369ff6887fd43529eca18 B+.out.ezfio/nuclei/nucl_charge.gz
f8c434499935be0589841513fdbd36ca B+.out.ezfio/nuclei/nucl_coord.gz
765e1f05dd3fbab8c7ebefaf2f1813e4 B+.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b B+.out.ezfio/output/empty

20
data/inputs/B.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
4697a3ffa9e3390392d569bf322b18e1 B.out.ezfio/ao_basis/ao_coef.gz
bbf71862bea48e2e3ca026aed6fa4cc6 B.out.ezfio/ao_basis/ao_expo.gz
c358f9b90af143e7391acb788c55054b B.out.ezfio/ao_basis/ao_nucl.gz
8d835c17bb93dc4b67ed4ec1d7197ffa B.out.ezfio/ao_basis/ao_num
4f9004d10517dc723bec441f01c506d2 B.out.ezfio/ao_basis/ao_power.gz
855fbe409a06a93c74193a6fe08b48a0 B.out.ezfio/ao_basis/ao_prim_num.gz
fc7192d47339d0d2b75886b578c1b041 B.out.ezfio/electrons/elec_alpha_num
b8d55a162b3e0811e1c93a1c6f157817 B.out.ezfio/electrons/elec_beta_num
3c3c91619a5c3eb8710b89c2da07b853 B.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf B.out.ezfio/ezfio/library
475c4fd50f4fc142df0aa47691a61108 B.out.ezfio/mo_basis/mo_coef.gz
343eeebc8a7b9f03f79b0694af9166f4 B.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 B.out.ezfio/mo_basis/mo_label
16f2885518e5c47a2513b55dad82d8d6 B.out.ezfio/mo_basis/mo_occ.gz
4f8b9c1047bb093d5e8ded0558e9ea5b B.out.ezfio/mo_basis/mo_symmetry.gz
757c9248d7ddb2778d3df1b1ba938d15 B.out.ezfio/mo_basis/mo_tot_num
465bea25b6dd952295bda2c338821892 B.out.ezfio/nuclei/nucl_charge.gz
0f648d2ad9978199a4ef94b573aacdd6 B.out.ezfio/nuclei/nucl_coord.gz
765e1f05dd3fbab8c7ebefaf2f1813e4 B.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b B.out.ezfio/output/empty

20
data/inputs/BCl.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
49fcfb5e404239ab5e80127bca4bc8b5 BCl.out.ezfio/ao_basis/ao_coef.gz
b20726401284e8f99fc5c87fa33b63cb BCl.out.ezfio/ao_basis/ao_expo.gz
e24a7d332863c8f1ff1c83a2e029d53f BCl.out.ezfio/ao_basis/ao_nucl.gz
3684cba18cb251696e3efbe2a411ff51 BCl.out.ezfio/ao_basis/ao_num
92f734ac7f77e60614a0f388afebfea4 BCl.out.ezfio/ao_basis/ao_power.gz
57e475be8641377828dca56dac4d7f00 BCl.out.ezfio/ao_basis/ao_prim_num.gz
86a89aacd3c5e8bdec809a62620500e9 BCl.out.ezfio/electrons/elec_alpha_num
86a89aacd3c5e8bdec809a62620500e9 BCl.out.ezfio/electrons/elec_beta_num
3f708499876f92eaf350d3ac7d89d18c BCl.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf BCl.out.ezfio/ezfio/library
4e282f531d2b3a78c649663baf8bc7ce BCl.out.ezfio/mo_basis/mo_coef.gz
50c6055ae584e2de3bea34d428408fb3 BCl.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 BCl.out.ezfio/mo_basis/mo_label
88d7598c9fe7baaf4aade4eaccd7acce BCl.out.ezfio/mo_basis/mo_occ.gz
d9f7d239cda319c158f1939aad95640d BCl.out.ezfio/mo_basis/mo_symmetry.gz
ec138cf55b9da2ea6b9d151433df2baf BCl.out.ezfio/mo_basis/mo_tot_num
8df6877e08d15c69252bd902beb0735b BCl.out.ezfio/nuclei/nucl_charge.gz
7846eaba4bbf4362042581d1a4994491 BCl.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 BCl.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b BCl.out.ezfio/output/empty

20
data/inputs/BH.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
eaf7276f6c69a184b25bf90fad7fff8a BH.out.ezfio/ao_basis/ao_coef.gz
07a828ebc6e058f84476832901b2f0c3 BH.out.ezfio/ao_basis/ao_expo.gz
0d85272a0927d0a829d29aa1a4eb7ed8 BH.out.ezfio/ao_basis/ao_nucl.gz
1d3287b26b02daefbb941c9d6940348e BH.out.ezfio/ao_basis/ao_num
117c9603bb4dcb74a972e39ef650440f BH.out.ezfio/ao_basis/ao_power.gz
f4374e1b01395721ca702f41d8271c36 BH.out.ezfio/ao_basis/ao_prim_num.gz
fc7192d47339d0d2b75886b578c1b041 BH.out.ezfio/electrons/elec_alpha_num
fc7192d47339d0d2b75886b578c1b041 BH.out.ezfio/electrons/elec_beta_num
3c3c91619a5c3eb8710b89c2da07b853 BH.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf BH.out.ezfio/ezfio/library
81245ffa3b4d9c9cd1e566f50437e15f BH.out.ezfio/mo_basis/mo_coef.gz
17bf3615f78ad81e19db8c45b6a8b2cb BH.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 BH.out.ezfio/mo_basis/mo_label
dd18d63c8ecfb953d1befcc293dd4d5b BH.out.ezfio/mo_basis/mo_occ.gz
77de9772e89cc06ed92cf21666c04624 BH.out.ezfio/mo_basis/mo_symmetry.gz
a62103800a061f58b2b696f7c5119e54 BH.out.ezfio/mo_basis/mo_tot_num
0fcb5467cb10af80f5df11c316d0a7cb BH.out.ezfio/nuclei/nucl_charge.gz
3a1d7a92e2477d9ae8f352b899e5cb49 BH.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 BH.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b BH.out.ezfio/output/empty

20
data/inputs/BH2.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
63136a88edd8cd6a7521a7dd54d2634b BH2.out.ezfio/ao_basis/ao_coef.gz
cd11d3901c1167601ec2fee19a368fa7 BH2.out.ezfio/ao_basis/ao_expo.gz
9a3e6889cd1139a08615de840a51d410 BH2.out.ezfio/ao_basis/ao_nucl.gz
d1f6a39a32f2dfe572f3b9d12ec2ba48 BH2.out.ezfio/ao_basis/ao_num
0751751e904ca4a5d86743bb21bbd461 BH2.out.ezfio/ao_basis/ao_power.gz
d19647469bf2a69414aba86cbaa81a9c BH2.out.ezfio/ao_basis/ao_prim_num.gz
a5ae057cdae95f3930403204a9c9cbe2 BH2.out.ezfio/electrons/elec_alpha_num
fc7192d47339d0d2b75886b578c1b041 BH2.out.ezfio/electrons/elec_beta_num
3c3c91619a5c3eb8710b89c2da07b853 BH2.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf BH2.out.ezfio/ezfio/library
af9f398684378ef4dfb9851b34baa7de BH2.out.ezfio/mo_basis/mo_coef.gz
8fd7688f0b09174a6388a54bf87aef6b BH2.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 BH2.out.ezfio/mo_basis/mo_label
7caaae2a02dd0a47284ba687b8affcf9 BH2.out.ezfio/mo_basis/mo_occ.gz
aba88ec9dce179586b034736d3c43285 BH2.out.ezfio/mo_basis/mo_symmetry.gz
451c4341193e051f7bce31747b7857ac BH2.out.ezfio/mo_basis/mo_tot_num
cf19505f9949caddc0cdbc445f07e8a5 BH2.out.ezfio/nuclei/nucl_charge.gz
b32373d9af77d44543d099980e9e170b BH2.out.ezfio/nuclei/nucl_coord.gz
fc7192d47339d0d2b75886b578c1b041 BH2.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b BH2.out.ezfio/output/empty

20
data/inputs/BH3.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
3de3d90c157d07b43347da80fe65b8d4 BH3.out.ezfio/ao_basis/ao_coef.gz
e48726065f95bf3a7edcfd238c35d89d BH3.out.ezfio/ao_basis/ao_expo.gz
22235b4ad43e65dd71ab5875437d6375 BH3.out.ezfio/ao_basis/ao_nucl.gz
c9d2e4f9d10db875d4396ee02bce67cb BH3.out.ezfio/ao_basis/ao_num
2e815e2ff9ea8c3be23138b41fc75ec0 BH3.out.ezfio/ao_basis/ao_power.gz
d070c27d79a375b231b7e6d6642feb73 BH3.out.ezfio/ao_basis/ao_prim_num.gz
a5ae057cdae95f3930403204a9c9cbe2 BH3.out.ezfio/electrons/elec_alpha_num
a5ae057cdae95f3930403204a9c9cbe2 BH3.out.ezfio/electrons/elec_beta_num
3c3c91619a5c3eb8710b89c2da07b853 BH3.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf BH3.out.ezfio/ezfio/library
d1e34e08eb7c0365ed35f0566114b2e2 BH3.out.ezfio/mo_basis/mo_coef.gz
7bf242308729e35ab7d1f1e86daacde9 BH3.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 BH3.out.ezfio/mo_basis/mo_label
deb6a037cd79edbba1a6a79af81522c9 BH3.out.ezfio/mo_basis/mo_occ.gz
f04980488313118f12ee8b0a38757d9a BH3.out.ezfio/mo_basis/mo_symmetry.gz
4060e3d8c144f496022427a2c22aeb85 BH3.out.ezfio/mo_basis/mo_tot_num
c9168dc9685d09a89e0e9dc0f6cd3f8d BH3.out.ezfio/nuclei/nucl_charge.gz
fab368809f9f6b6ede646748199ee382 BH3.out.ezfio/nuclei/nucl_coord.gz
a5ae057cdae95f3930403204a9c9cbe2 BH3.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b BH3.out.ezfio/output/empty

20
data/inputs/BO.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
3407c5f99fc912c2d684e8d9f108fca9 BO.out.ezfio/ao_basis/ao_coef.gz
be64e41b58fb56e9920e09858749b8ef BO.out.ezfio/ao_basis/ao_expo.gz
90f9155cd8d1c68b75617f98e98fe7f6 BO.out.ezfio/ao_basis/ao_nucl.gz
c9d2e4f9d10db875d4396ee02bce67cb BO.out.ezfio/ao_basis/ao_num
db0a02d955aa42809fd3e1f162502962 BO.out.ezfio/ao_basis/ao_power.gz
8f769159c36aae6f6c24284895f1f51d BO.out.ezfio/ao_basis/ao_prim_num.gz
4e94260b47ac90ce146cf693b6ea796f BO.out.ezfio/electrons/elec_alpha_num
503018260a2f6fc8557fcf29300fa8bb BO.out.ezfio/electrons/elec_beta_num
3c3c91619a5c3eb8710b89c2da07b853 BO.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf BO.out.ezfio/ezfio/library
62ee70474696c4c6c2a7e218daa2541c BO.out.ezfio/mo_basis/mo_coef.gz
f58aefe8e48d458b9b9921be4e770a00 BO.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 BO.out.ezfio/mo_basis/mo_label
6bdc7d97d64d2b0f37f92104034a37d4 BO.out.ezfio/mo_basis/mo_occ.gz
e3e5397f25467b95383051e73c329b7c BO.out.ezfio/mo_basis/mo_symmetry.gz
86ab60aaf6bd682019491d338a44e5f2 BO.out.ezfio/mo_basis/mo_tot_num
62ccf07d70e1b367245f9d44731dce86 BO.out.ezfio/nuclei/nucl_charge.gz
77d950596392543970e48fcf8a856c3f BO.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 BO.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b BO.out.ezfio/output/empty

20
data/inputs/BS.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
6511ca5676d7a31a643456f61f0d971f BS.out.ezfio/ao_basis/ao_coef.gz
88c40757fa4d1f2b4c09c24154d1debf BS.out.ezfio/ao_basis/ao_expo.gz
3a84a074f3d2733d3be384a39b854d2f BS.out.ezfio/ao_basis/ao_nucl.gz
3684cba18cb251696e3efbe2a411ff51 BS.out.ezfio/ao_basis/ao_num
56e8faca062992aed7b608a08e25efdb BS.out.ezfio/ao_basis/ao_power.gz
240febb3fc3e6229839815b0f4a8626f BS.out.ezfio/ao_basis/ao_prim_num.gz
86a89aacd3c5e8bdec809a62620500e9 BS.out.ezfio/electrons/elec_alpha_num
b5e150f8a5f428ced2b7812819cd43b0 BS.out.ezfio/electrons/elec_beta_num
c2202610eab49ae435efb531fc90cb8b BS.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf BS.out.ezfio/ezfio/library
a682c4c7670c2e12dab7d8bfcc780868 BS.out.ezfio/mo_basis/mo_coef.gz
a44c71e0d719454ef6a695c9d719c77c BS.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 BS.out.ezfio/mo_basis/mo_label
0165b690fba033d813a1d109fcd21a43 BS.out.ezfio/mo_basis/mo_occ.gz
867663ce1f07911406deb88efe187d18 BS.out.ezfio/mo_basis/mo_symmetry.gz
ec138cf55b9da2ea6b9d151433df2baf BS.out.ezfio/mo_basis/mo_tot_num
ec3b5894d815407480c5e5c546ea5673 BS.out.ezfio/nuclei/nucl_charge.gz
e580d6efd46270f0d7015c697b8861fd BS.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 BS.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b BS.out.ezfio/output/empty

20
data/inputs/Be+.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
08786f4b4cc8b24ff6a5ed13f2c951c3 Be+.out.ezfio/ao_basis/ao_coef.gz
32295bb548c90d0a521b5480269715d6 Be+.out.ezfio/ao_basis/ao_expo.gz
f68370f0960a9df0ce5ad58868e01be4 Be+.out.ezfio/ao_basis/ao_nucl.gz
8d835c17bb93dc4b67ed4ec1d7197ffa Be+.out.ezfio/ao_basis/ao_num
22936427e796cdfbee85f18f1ed92103 Be+.out.ezfio/ao_basis/ao_power.gz
34839fe6e27b9232042696ee187c5cad Be+.out.ezfio/ao_basis/ao_prim_num.gz
b8d55a162b3e0811e1c93a1c6f157817 Be+.out.ezfio/electrons/elec_alpha_num
765e1f05dd3fbab8c7ebefaf2f1813e4 Be+.out.ezfio/electrons/elec_beta_num
9c1acab485b1f28ba84b825c9d1a368c Be+.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf Be+.out.ezfio/ezfio/library
244751244786c80eb1c10554f5af8b76 Be+.out.ezfio/mo_basis/mo_coef.gz
c2c722d4f7fa32231977edd2b53503f6 Be+.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 Be+.out.ezfio/mo_basis/mo_label
3c1d11a005bf98b202aa61f2a5180df7 Be+.out.ezfio/mo_basis/mo_occ.gz
1309d8674d5c1353edcef5f888435baa Be+.out.ezfio/mo_basis/mo_symmetry.gz
757c9248d7ddb2778d3df1b1ba938d15 Be+.out.ezfio/mo_basis/mo_tot_num
943de68267a1a33e907d6b101ac56e2a Be+.out.ezfio/nuclei/nucl_charge.gz
0bb46b43c10265bd738e6dca7b1122d6 Be+.out.ezfio/nuclei/nucl_coord.gz
765e1f05dd3fbab8c7ebefaf2f1813e4 Be+.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b Be+.out.ezfio/output/empty

20
data/inputs/Be.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
e8be6018432369e470a181826ed1a3e6 Be.out.ezfio/ao_basis/ao_coef.gz
0a1c8b7c047dea11d52488d69903b600 Be.out.ezfio/ao_basis/ao_expo.gz
250dbaff591c47095e5a69f8c081d610 Be.out.ezfio/ao_basis/ao_nucl.gz
8d835c17bb93dc4b67ed4ec1d7197ffa Be.out.ezfio/ao_basis/ao_num
2b49d53fc3fba5c8d8538de28eeaf86c Be.out.ezfio/ao_basis/ao_power.gz
49b69ad218cd716d907a5dc81f5d60e3 Be.out.ezfio/ao_basis/ao_prim_num.gz
b8d55a162b3e0811e1c93a1c6f157817 Be.out.ezfio/electrons/elec_alpha_num
b8d55a162b3e0811e1c93a1c6f157817 Be.out.ezfio/electrons/elec_beta_num
9c1acab485b1f28ba84b825c9d1a368c Be.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf Be.out.ezfio/ezfio/library
355c7bbf5027d09e9ca99164b9e1f301 Be.out.ezfio/mo_basis/mo_coef.gz
e2cb35b021415ffe7c4c56d888e40ac7 Be.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 Be.out.ezfio/mo_basis/mo_label
8ec9ffded6bd9f2b2cde222a1719990b Be.out.ezfio/mo_basis/mo_occ.gz
09a947ff8ad3097d7d5efaf7933fd59f Be.out.ezfio/mo_basis/mo_symmetry.gz
757c9248d7ddb2778d3df1b1ba938d15 Be.out.ezfio/mo_basis/mo_tot_num
94fad64de9aac3d44d842bd3765e727f Be.out.ezfio/nuclei/nucl_charge.gz
f67b8ee022d52e5d1c2ec98f6533c5f6 Be.out.ezfio/nuclei/nucl_coord.gz
765e1f05dd3fbab8c7ebefaf2f1813e4 Be.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b Be.out.ezfio/output/empty

20
data/inputs/BeCl.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
6ef4181283a00de8d5a6788ab664911d BeCl.out.ezfio/ao_basis/ao_coef.gz
8f5afa2d0ead3fa0fe6da336549947f5 BeCl.out.ezfio/ao_basis/ao_expo.gz
79bea5193ad5f593a4da7d207a123cf1 BeCl.out.ezfio/ao_basis/ao_nucl.gz
3684cba18cb251696e3efbe2a411ff51 BeCl.out.ezfio/ao_basis/ao_num
674cf045eba3126804ae52261eee57e0 BeCl.out.ezfio/ao_basis/ao_power.gz
7bbdfdb75debb94ccbde9f11a0f81fa5 BeCl.out.ezfio/ao_basis/ao_prim_num.gz
86a89aacd3c5e8bdec809a62620500e9 BeCl.out.ezfio/electrons/elec_alpha_num
b5e150f8a5f428ced2b7812819cd43b0 BeCl.out.ezfio/electrons/elec_beta_num
b2a70f36273a6b18467271f53feb784e BeCl.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf BeCl.out.ezfio/ezfio/library
b106d676c29510462bc7051529f807f2 BeCl.out.ezfio/mo_basis/mo_coef.gz
a615e43af7edbb06a13a8947e0f7c324 BeCl.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 BeCl.out.ezfio/mo_basis/mo_label
3a31bde3f6c979f4d28714a3a82f938f BeCl.out.ezfio/mo_basis/mo_occ.gz
99821b95ee02d67cb0bc8748fc59f9f7 BeCl.out.ezfio/mo_basis/mo_symmetry.gz
ec138cf55b9da2ea6b9d151433df2baf BeCl.out.ezfio/mo_basis/mo_tot_num
a1a468d01b3cf4b5c62c5a0d1171c582 BeCl.out.ezfio/nuclei/nucl_charge.gz
4310ded9b810adfe7b3492d5fcefd36d BeCl.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 BeCl.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b BeCl.out.ezfio/output/empty

20
data/inputs/BeF.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
2d2541278a726bb183a10dee68477222 BeF.out.ezfio/ao_basis/ao_coef.gz
3bd21c406a5758eafb0965e95dfa547d BeF.out.ezfio/ao_basis/ao_expo.gz
a678d21d146763dd3047636b89b41640 BeF.out.ezfio/ao_basis/ao_nucl.gz
c9d2e4f9d10db875d4396ee02bce67cb BeF.out.ezfio/ao_basis/ao_num
ea428f40f83f2c8aa5352bc4d9829181 BeF.out.ezfio/ao_basis/ao_power.gz
79669ab91f3add40d3aed5345e57cf21 BeF.out.ezfio/ao_basis/ao_prim_num.gz
4e94260b47ac90ce146cf693b6ea796f BeF.out.ezfio/electrons/elec_alpha_num
503018260a2f6fc8557fcf29300fa8bb BeF.out.ezfio/electrons/elec_beta_num
b2a70f36273a6b18467271f53feb784e BeF.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf BeF.out.ezfio/ezfio/library
d1849aec815165f7c509fbc5be276942 BeF.out.ezfio/mo_basis/mo_coef.gz
dbdac15aa8284f9690196c69448a3098 BeF.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 BeF.out.ezfio/mo_basis/mo_label
f5b3c26ad82879fbbf08460dfe3a0e62 BeF.out.ezfio/mo_basis/mo_occ.gz
d3ad63090a05591259c271e996a6e973 BeF.out.ezfio/mo_basis/mo_symmetry.gz
86ab60aaf6bd682019491d338a44e5f2 BeF.out.ezfio/mo_basis/mo_tot_num
96c7590bc4c395312fb0c3b9f6cedda4 BeF.out.ezfio/nuclei/nucl_charge.gz
2b164658ebc2e69aa97a2e07c1bb408d BeF.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 BeF.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b BeF.out.ezfio/output/empty

20
data/inputs/BeH.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
ea4ba7a97a225c91053c27b3cf807b0b BeH.out.ezfio/ao_basis/ao_coef.gz
36e16f429ac6291c7b3dbb3ffdab1d15 BeH.out.ezfio/ao_basis/ao_expo.gz
88bbac066f74d591ff08ff9d8bc95ac0 BeH.out.ezfio/ao_basis/ao_nucl.gz
1d3287b26b02daefbb941c9d6940348e BeH.out.ezfio/ao_basis/ao_num
e6db5a8f58965f75e3cf930483c56171 BeH.out.ezfio/ao_basis/ao_power.gz
84572f3ec486c758fa2d59c2c9056a74 BeH.out.ezfio/ao_basis/ao_prim_num.gz
fc7192d47339d0d2b75886b578c1b041 BeH.out.ezfio/electrons/elec_alpha_num
b8d55a162b3e0811e1c93a1c6f157817 BeH.out.ezfio/electrons/elec_beta_num
b2a70f36273a6b18467271f53feb784e BeH.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf BeH.out.ezfio/ezfio/library
14cb90952a64c999b9bc5b3e23da0469 BeH.out.ezfio/mo_basis/mo_coef.gz
ceb782aaaf104ccf478ec59d11e5a8be BeH.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 BeH.out.ezfio/mo_basis/mo_label
3e2a61c3af0d9d03c3402a5af841a6ef BeH.out.ezfio/mo_basis/mo_occ.gz
05158c543001c39f0c69806ee1e0c7cc BeH.out.ezfio/mo_basis/mo_symmetry.gz
a62103800a061f58b2b696f7c5119e54 BeH.out.ezfio/mo_basis/mo_tot_num
3fcf26d478852aa4cd33f9eb7a235b79 BeH.out.ezfio/nuclei/nucl_charge.gz
1e9aed025c8b66532cf355f41a208df1 BeH.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 BeH.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b BeH.out.ezfio/output/empty

20
data/inputs/BeH2.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
1ced583228ece0f6aeaa4b4e792c247e BeH2.out.ezfio/ao_basis/ao_coef.gz
533bd0ec61f90048e8682dc0947469bf BeH2.out.ezfio/ao_basis/ao_expo.gz
2ee515c72f6fde9a6ce7241b7b60e9cb BeH2.out.ezfio/ao_basis/ao_nucl.gz
d1f6a39a32f2dfe572f3b9d12ec2ba48 BeH2.out.ezfio/ao_basis/ao_num
362cb81c7bdecdd7dfdf3febd0eecc3a BeH2.out.ezfio/ao_basis/ao_power.gz
00b18f6a68ae444d9fa6738e5bba162c BeH2.out.ezfio/ao_basis/ao_prim_num.gz
fc7192d47339d0d2b75886b578c1b041 BeH2.out.ezfio/electrons/elec_alpha_num
fc7192d47339d0d2b75886b578c1b041 BeH2.out.ezfio/electrons/elec_beta_num
b2a70f36273a6b18467271f53feb784e BeH2.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf BeH2.out.ezfio/ezfio/library
67b0d86592577c9775e8064d778828e6 BeH2.out.ezfio/mo_basis/mo_coef.gz
febf557dbb6cda4175b9ec9028a3706c BeH2.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 BeH2.out.ezfio/mo_basis/mo_label
c71124403952874e551111caf83955f1 BeH2.out.ezfio/mo_basis/mo_occ.gz
f0c2d5d403b156d279f56e374e7c96e6 BeH2.out.ezfio/mo_basis/mo_symmetry.gz
451c4341193e051f7bce31747b7857ac BeH2.out.ezfio/mo_basis/mo_tot_num
228da877eab2b4fa3cce25583f9c4429 BeH2.out.ezfio/nuclei/nucl_charge.gz
cb24d73373a5a593abd5e47e86cefc22 BeH2.out.ezfio/nuclei/nucl_coord.gz
fc7192d47339d0d2b75886b578c1b041 BeH2.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b BeH2.out.ezfio/output/empty

20
data/inputs/BeO.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
40ad685eb09db6b346cb596cecb337fa BeO.out.ezfio/ao_basis/ao_coef.gz
ca63028791aca9a759d93b5114deed7f BeO.out.ezfio/ao_basis/ao_expo.gz
df81664f1b2001b8ba932bf8ceb7067f BeO.out.ezfio/ao_basis/ao_nucl.gz
c9d2e4f9d10db875d4396ee02bce67cb BeO.out.ezfio/ao_basis/ao_num
8f4c9ac8fe733399f19217a85f4f9909 BeO.out.ezfio/ao_basis/ao_power.gz
3f80d101dcbbb6ed5621f11765f64a82 BeO.out.ezfio/ao_basis/ao_prim_num.gz
503018260a2f6fc8557fcf29300fa8bb BeO.out.ezfio/electrons/elec_alpha_num
503018260a2f6fc8557fcf29300fa8bb BeO.out.ezfio/electrons/elec_beta_num
9c1acab485b1f28ba84b825c9d1a368c BeO.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf BeO.out.ezfio/ezfio/library
850ab75bf8a083c4178dcecbf3bfabf1 BeO.out.ezfio/mo_basis/mo_coef.gz
7527963c1279858e04b9e404d7fcec97 BeO.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 BeO.out.ezfio/mo_basis/mo_label
23c760083e1257184aec5614bfd44330 BeO.out.ezfio/mo_basis/mo_occ.gz
98a124ad211b87f71d583d642a99184b BeO.out.ezfio/mo_basis/mo_symmetry.gz
86ab60aaf6bd682019491d338a44e5f2 BeO.out.ezfio/mo_basis/mo_tot_num
0ad2fd8a50df2ced9a5e2f4163095a90 BeO.out.ezfio/nuclei/nucl_charge.gz
acaa0894b9cdc16b3d3d3ea85417d61a BeO.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 BeO.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b BeO.out.ezfio/output/empty

20
data/inputs/BeOH.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
b732e05ef8f133fc0d20d022403799a0 BeOH.out.ezfio/ao_basis/ao_coef.gz
be503db9958b745d7c296a50edd4ab08 BeOH.out.ezfio/ao_basis/ao_expo.gz
11f6659d99f91ce5ffd522693bd45bc5 BeOH.out.ezfio/ao_basis/ao_nucl.gz
ea2a34d42beeb57bfa1b3f55ec5280ef BeOH.out.ezfio/ao_basis/ao_num
ac078ff60ae5033095aaf138f0e5397d BeOH.out.ezfio/ao_basis/ao_power.gz
759da16652d979852fb483c8b48a7548 BeOH.out.ezfio/ao_basis/ao_prim_num.gz
4e94260b47ac90ce146cf693b6ea796f BeOH.out.ezfio/electrons/elec_alpha_num
503018260a2f6fc8557fcf29300fa8bb BeOH.out.ezfio/electrons/elec_beta_num
b2a70f36273a6b18467271f53feb784e BeOH.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf BeOH.out.ezfio/ezfio/library
025dedabecb345b01990a57f8e9ae848 BeOH.out.ezfio/mo_basis/mo_coef.gz
41b55468a87b4eedb5b1bf41465aba38 BeOH.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 BeOH.out.ezfio/mo_basis/mo_label
fa73dfd297d10186d714aaf5b234a604 BeOH.out.ezfio/mo_basis/mo_occ.gz
3fff060c97142bfdf6926bb24e4a6bf3 BeOH.out.ezfio/mo_basis/mo_symmetry.gz
6d565b356be2a29b033f88669e83ea32 BeOH.out.ezfio/mo_basis/mo_tot_num
d4720d8636227a7eb0ab04acc8710df3 BeOH.out.ezfio/nuclei/nucl_charge.gz
59a9266c173d443aaf7ee7e56ee1e59f BeOH.out.ezfio/nuclei/nucl_coord.gz
fc7192d47339d0d2b75886b578c1b041 BeOH.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b BeOH.out.ezfio/output/empty

20
data/inputs/BeS.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
c42888bbe4404d890b81c319711be13b BeS.out.ezfio/ao_basis/ao_coef.gz
0265f5ae0e3d975cf162df6be94b1e86 BeS.out.ezfio/ao_basis/ao_expo.gz
a66c3dc7e2970cc5c4e355da1195c039 BeS.out.ezfio/ao_basis/ao_nucl.gz
3684cba18cb251696e3efbe2a411ff51 BeS.out.ezfio/ao_basis/ao_num
ab95d366d8b06785975d449aeff24b36 BeS.out.ezfio/ao_basis/ao_power.gz
20110a621085eb3c059bb23ac34ab1bf BeS.out.ezfio/ao_basis/ao_prim_num.gz
b5e150f8a5f428ced2b7812819cd43b0 BeS.out.ezfio/electrons/elec_alpha_num
b5e150f8a5f428ced2b7812819cd43b0 BeS.out.ezfio/electrons/elec_beta_num
9c1acab485b1f28ba84b825c9d1a368c BeS.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf BeS.out.ezfio/ezfio/library
3f012eb9252b9c3f40e01fe67b9f8777 BeS.out.ezfio/mo_basis/mo_coef.gz
d9f0392320d556a4a35c68b8bb344a86 BeS.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 BeS.out.ezfio/mo_basis/mo_label
3326f2497f9c309c97d08e696d80c1a6 BeS.out.ezfio/mo_basis/mo_occ.gz
e553a940d63063fdfd3fa0733581742c BeS.out.ezfio/mo_basis/mo_symmetry.gz
ec138cf55b9da2ea6b9d151433df2baf BeS.out.ezfio/mo_basis/mo_tot_num
3b0967129669f57d11096e1b8653b968 BeS.out.ezfio/nuclei/nucl_charge.gz
8df28e62d242a3bb9b6e85277557e5c5 BeS.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 BeS.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b BeS.out.ezfio/output/empty

20
data/inputs/C+.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
2083aef38c450721fd16ace2ef79d7e4 C+.out.ezfio/ao_basis/ao_coef.gz
5a6eb43ba8e6ba31c88c51082c6ec356 C+.out.ezfio/ao_basis/ao_expo.gz
ee97124db4721a4dc7d55f28edcb70c5 C+.out.ezfio/ao_basis/ao_nucl.gz
8d835c17bb93dc4b67ed4ec1d7197ffa C+.out.ezfio/ao_basis/ao_num
249d490113c6f5106e12acefb74338f2 C+.out.ezfio/ao_basis/ao_power.gz
e5edbe1dc1dca26e797752027876fab8 C+.out.ezfio/ao_basis/ao_prim_num.gz
fc7192d47339d0d2b75886b578c1b041 C+.out.ezfio/electrons/elec_alpha_num
b8d55a162b3e0811e1c93a1c6f157817 C+.out.ezfio/electrons/elec_beta_num
67cb896265dd6349c31f78dd8c7dfe93 C+.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf C+.out.ezfio/ezfio/library
537fcdf28675c5af0a6d9ba50c721b44 C+.out.ezfio/mo_basis/mo_coef.gz
42dbeb7494dd8df7ada4657fdd4d83c2 C+.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 C+.out.ezfio/mo_basis/mo_label
9876033979ba00a3290fbf9e96c03283 C+.out.ezfio/mo_basis/mo_occ.gz
5495d54be2c964ce922f325bff1490e0 C+.out.ezfio/mo_basis/mo_symmetry.gz
757c9248d7ddb2778d3df1b1ba938d15 C+.out.ezfio/mo_basis/mo_tot_num
f93ad84c6df20886e9e10c68d461200e C+.out.ezfio/nuclei/nucl_charge.gz
2f4c60267a9477f8e602af8bf3b0abde C+.out.ezfio/nuclei/nucl_coord.gz
765e1f05dd3fbab8c7ebefaf2f1813e4 C+.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b C+.out.ezfio/output/empty

20
data/inputs/C-.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
f2259f5eccce1be68338e13e594e702a C-.out.ezfio/ao_basis/ao_coef.gz
7000662cfdba58f1f646aec1c58f84fd C-.out.ezfio/ao_basis/ao_expo.gz
e12d02cecc7c7f43f272ec777cd57e45 C-.out.ezfio/ao_basis/ao_nucl.gz
8d835c17bb93dc4b67ed4ec1d7197ffa C-.out.ezfio/ao_basis/ao_num
3e8a8cb8903dd09302385b0f066863e9 C-.out.ezfio/ao_basis/ao_power.gz
971b8ee0999d4aab3711d26333809faa C-.out.ezfio/ao_basis/ao_prim_num.gz
d765d41448fe246fcc034b66e2768837 C-.out.ezfio/electrons/elec_alpha_num
b8d55a162b3e0811e1c93a1c6f157817 C-.out.ezfio/electrons/elec_beta_num
15de91fad5d928f39cb20038202edd5f C-.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf C-.out.ezfio/ezfio/library
5bfda9390b6a84c8508f3c6634fa8188 C-.out.ezfio/mo_basis/mo_coef.gz
1370c3d53445364670f9ccaf8cdc38aa C-.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 C-.out.ezfio/mo_basis/mo_label
2202ef08cc0b65a4d76796dcd79d8de1 C-.out.ezfio/mo_basis/mo_occ.gz
bf1fb1b89921109866749c7199064eed C-.out.ezfio/mo_basis/mo_symmetry.gz
757c9248d7ddb2778d3df1b1ba938d15 C-.out.ezfio/mo_basis/mo_tot_num
24cd0d11f727a6e77c5634272a8011dc C-.out.ezfio/nuclei/nucl_charge.gz
fc6d1a0e8a262dc726f84efd6198ab83 C-.out.ezfio/nuclei/nucl_coord.gz
765e1f05dd3fbab8c7ebefaf2f1813e4 C-.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b C-.out.ezfio/output/empty

20
data/inputs/C.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
ba3ad02343422095161b92d7803d6671 C.out.ezfio/ao_basis/ao_coef.gz
2c1371b735894d182fd184708a414ac0 C.out.ezfio/ao_basis/ao_expo.gz
feacfd1b68f52b054ad26dbab623cfcd C.out.ezfio/ao_basis/ao_nucl.gz
8d835c17bb93dc4b67ed4ec1d7197ffa C.out.ezfio/ao_basis/ao_num
f74b9717370c026db14de32b7920c670 C.out.ezfio/ao_basis/ao_power.gz
b5a366a1383d44b6d049051ac7d563cd C.out.ezfio/ao_basis/ao_prim_num.gz
a5ae057cdae95f3930403204a9c9cbe2 C.out.ezfio/electrons/elec_alpha_num
b8d55a162b3e0811e1c93a1c6f157817 C.out.ezfio/electrons/elec_beta_num
15de91fad5d928f39cb20038202edd5f C.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf C.out.ezfio/ezfio/library
13d8d781fbc6feb82fa2472f56d11610 C.out.ezfio/mo_basis/mo_coef.gz
aad04d0f498f95b572615768efb7657a C.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 C.out.ezfio/mo_basis/mo_label
72b79b945a79427f26554b85ce493624 C.out.ezfio/mo_basis/mo_occ.gz
9c7df2f7330b13dc9937c34daa929eeb C.out.ezfio/mo_basis/mo_symmetry.gz
757c9248d7ddb2778d3df1b1ba938d15 C.out.ezfio/mo_basis/mo_tot_num
21521d91f5bba02ba0813eba3dda4516 C.out.ezfio/nuclei/nucl_charge.gz
43d0fa9c039c3e2f1391d3a4072cd3e6 C.out.ezfio/nuclei/nucl_coord.gz
765e1f05dd3fbab8c7ebefaf2f1813e4 C.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b C.out.ezfio/output/empty

20
data/inputs/C2.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
06901ed7a9af12248cb2c05b0a26bbda C2.out.ezfio/ao_basis/ao_coef.gz
fe2f2ea1971ceca756ce841a9c94b037 C2.out.ezfio/ao_basis/ao_expo.gz
a844e61b0d940e828391b0860a70a45a C2.out.ezfio/ao_basis/ao_nucl.gz
c9d2e4f9d10db875d4396ee02bce67cb C2.out.ezfio/ao_basis/ao_num
df8d2e45c741feff4b1fdf7e8e79681e C2.out.ezfio/ao_basis/ao_power.gz
92bc0c823a3fadfab1fbffd6489ff3fe C2.out.ezfio/ao_basis/ao_prim_num.gz
503018260a2f6fc8557fcf29300fa8bb C2.out.ezfio/electrons/elec_alpha_num
503018260a2f6fc8557fcf29300fa8bb C2.out.ezfio/electrons/elec_beta_num
09a7d66830838985c221023fbf8a1edf C2.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf C2.out.ezfio/ezfio/library
c2715b4a0b1ae2f521c3ba6fcc6ab16f C2.out.ezfio/mo_basis/mo_coef.gz
526c89b6ffe9c57fccec0f98d12df655 C2.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 C2.out.ezfio/mo_basis/mo_label
46156902ff7b1ea000ed281186f2be95 C2.out.ezfio/mo_basis/mo_occ.gz
7671ae288de29c6d8d0afc2746249d32 C2.out.ezfio/mo_basis/mo_symmetry.gz
86ab60aaf6bd682019491d338a44e5f2 C2.out.ezfio/mo_basis/mo_tot_num
4c24fec7fef0860fec09c046de1c64c0 C2.out.ezfio/nuclei/nucl_charge.gz
b6aa09dae674a8a47f727582d29a6a7d C2.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 C2.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b C2.out.ezfio/output/empty

20
data/inputs/C2H.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
87372a4d3bac2ef57669faf2618e31e6 C2H.out.ezfio/ao_basis/ao_coef.gz
8aabb3e97a2961a14fa67092a970771f C2H.out.ezfio/ao_basis/ao_expo.gz
0251a5d2b75045d70537f779bd00a450 C2H.out.ezfio/ao_basis/ao_nucl.gz
ea2a34d42beeb57bfa1b3f55ec5280ef C2H.out.ezfio/ao_basis/ao_num
85691117aa038e20a8b551d11428ae4e C2H.out.ezfio/ao_basis/ao_power.gz
9914467a9dcacf3a647a4298498dedab C2H.out.ezfio/ao_basis/ao_prim_num.gz
4e94260b47ac90ce146cf693b6ea796f C2H.out.ezfio/electrons/elec_alpha_num
503018260a2f6fc8557fcf29300fa8bb C2H.out.ezfio/electrons/elec_beta_num
09a7d66830838985c221023fbf8a1edf C2H.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf C2H.out.ezfio/ezfio/library
5adc855e38ecaf26e29b5d4abba35ffa C2H.out.ezfio/mo_basis/mo_coef.gz
ba7646c6648b54303ab2db7cc45e26f8 C2H.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 C2H.out.ezfio/mo_basis/mo_label
f17985087f9332aa0649326f20dcb04f C2H.out.ezfio/mo_basis/mo_occ.gz
e7ac1c9cfbbe8e301cbdd094a95e8578 C2H.out.ezfio/mo_basis/mo_symmetry.gz
6d565b356be2a29b033f88669e83ea32 C2H.out.ezfio/mo_basis/mo_tot_num
227e9596e1c1817d6f4501f92f657ed7 C2H.out.ezfio/nuclei/nucl_charge.gz
914f827329924da7cb6b6cebfbc6ea23 C2H.out.ezfio/nuclei/nucl_coord.gz
fc7192d47339d0d2b75886b578c1b041 C2H.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b C2H.out.ezfio/output/empty

20
data/inputs/C2H2+.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
e1c6a2551aa90e7845bb9c145f88fc0a C2H2+.out.ezfio/ao_basis/ao_coef.gz
18857a32aa0f3e291e1cbab2e59dfa6c C2H2+.out.ezfio/ao_basis/ao_expo.gz
bdb896544b17c450c67dc55063368dd9 C2H2+.out.ezfio/ao_basis/ao_nucl.gz
124cdb899e63978aabd1369eebce31a3 C2H2+.out.ezfio/ao_basis/ao_num
3eb8982c5e8794cc1ba7794aba37da99 C2H2+.out.ezfio/ao_basis/ao_power.gz
3b14162d627edb731c316c48332baa2d C2H2+.out.ezfio/ao_basis/ao_prim_num.gz
4e94260b47ac90ce146cf693b6ea796f C2H2+.out.ezfio/electrons/elec_alpha_num
503018260a2f6fc8557fcf29300fa8bb C2H2+.out.ezfio/electrons/elec_beta_num
c2202610eab49ae435efb531fc90cb8b C2H2+.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf C2H2+.out.ezfio/ezfio/library
1ce57daeaf45e911014d5d6fb6b04480 C2H2+.out.ezfio/mo_basis/mo_coef.gz
7dbd6f0d077f64f418aa39b3112df983 C2H2+.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 C2H2+.out.ezfio/mo_basis/mo_label
c8c3c5caeb40b3baa5e35be2386e230f C2H2+.out.ezfio/mo_basis/mo_occ.gz
27420d9aae6069b57a395d51320a72d9 C2H2+.out.ezfio/mo_basis/mo_symmetry.gz
2d176e3fd2a2bc8ed352f827d87ded6b C2H2+.out.ezfio/mo_basis/mo_tot_num
30af1206bd9e1ac818f49a92ee0d789a C2H2+.out.ezfio/nuclei/nucl_charge.gz
e19a69c431024a4b76d4e51766c589b8 C2H2+.out.ezfio/nuclei/nucl_coord.gz
a5ae057cdae95f3930403204a9c9cbe2 C2H2+.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b C2H2+.out.ezfio/output/empty

20
data/inputs/C2H2.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
4d38b7a11d25c83a1af46c80c9a1ba3f C2H2.out.ezfio/ao_basis/ao_coef.gz
8e625358f658e7f5b7ecad408f2533d1 C2H2.out.ezfio/ao_basis/ao_expo.gz
5116666fb4c759f27f92314382db8cc5 C2H2.out.ezfio/ao_basis/ao_nucl.gz
124cdb899e63978aabd1369eebce31a3 C2H2.out.ezfio/ao_basis/ao_num
82f8990a6a812b1f05ab9a745a57fde5 C2H2.out.ezfio/ao_basis/ao_power.gz
b2d0d1aaa0bc32f8a579a0b1d8682e15 C2H2.out.ezfio/ao_basis/ao_prim_num.gz
4e94260b47ac90ce146cf693b6ea796f C2H2.out.ezfio/electrons/elec_alpha_num
4e94260b47ac90ce146cf693b6ea796f C2H2.out.ezfio/electrons/elec_beta_num
c2202610eab49ae435efb531fc90cb8b C2H2.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf C2H2.out.ezfio/ezfio/library
1a7bd6fa0dc839bf88e398ef8fccc912 C2H2.out.ezfio/mo_basis/mo_coef.gz
81f40f5b108f0273a4b81c2c70f23e41 C2H2.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 C2H2.out.ezfio/mo_basis/mo_label
2afe17404fae719afa1888579062a2ce C2H2.out.ezfio/mo_basis/mo_occ.gz
3105564e1a959710bc2a69bf99d4ecf8 C2H2.out.ezfio/mo_basis/mo_symmetry.gz
2d176e3fd2a2bc8ed352f827d87ded6b C2H2.out.ezfio/mo_basis/mo_tot_num
57ddd7ab2818b69da044ce0c345b471a C2H2.out.ezfio/nuclei/nucl_charge.gz
c0fb1bbbe64d937a1c0817272d40c907 C2H2.out.ezfio/nuclei/nucl_coord.gz
a5ae057cdae95f3930403204a9c9cbe2 C2H2.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b C2H2.out.ezfio/output/empty

20
data/inputs/C2H3+.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
4fd5fdc5fa3696757cab675d06055733 C2H3+.out.ezfio/ao_basis/ao_coef.gz
18d62ac0be5cbe01535164fff26cb6cf C2H3+.out.ezfio/ao_basis/ao_expo.gz
4fe042687e5fc8ac883f058a7975946d C2H3+.out.ezfio/ao_basis/ao_nucl.gz
9b35e2a02ecae92c944cd0800edcee97 C2H3+.out.ezfio/ao_basis/ao_num
a8912e06aca7fe1a6f60c6cf79e2a21b C2H3+.out.ezfio/ao_basis/ao_power.gz
31a794506dd9cc295669a98445d1e3a1 C2H3+.out.ezfio/ao_basis/ao_prim_num.gz
4e94260b47ac90ce146cf693b6ea796f C2H3+.out.ezfio/electrons/elec_alpha_num
4e94260b47ac90ce146cf693b6ea796f C2H3+.out.ezfio/electrons/elec_beta_num
b84353f221ae2a8d4d5c2755c53655e6 C2H3+.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf C2H3+.out.ezfio/ezfio/library
5abb1ebe4d0115f36a0b6b33d9c0cfb6 C2H3+.out.ezfio/mo_basis/mo_coef.gz
3032a2da4472dd4ef5c0f3ffeced1323 C2H3+.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 C2H3+.out.ezfio/mo_basis/mo_label
aaec23ea3e740ea994b9ee467b34fd88 C2H3+.out.ezfio/mo_basis/mo_occ.gz
72228b4c760ec3d8d3e84b0d0c10fac6 C2H3+.out.ezfio/mo_basis/mo_symmetry.gz
5ba32d93aaa7cc90860fecd76c616fee C2H3+.out.ezfio/mo_basis/mo_tot_num
0176321450244195bffe47cd9f74b1e6 C2H3+.out.ezfio/nuclei/nucl_charge.gz
07afec1c20c2f71d7d1ced1f0b42bf45 C2H3+.out.ezfio/nuclei/nucl_coord.gz
d765d41448fe246fcc034b66e2768837 C2H3+.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b C2H3+.out.ezfio/output/empty

20
data/inputs/C2H3.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
4b588b6b908e02bb015415dd38824b56 C2H3.out.ezfio/ao_basis/ao_coef.gz
dde713239ebf10fe6eda9f667f9805f6 C2H3.out.ezfio/ao_basis/ao_expo.gz
c3da9f048c8e49d5f18856925eef2627 C2H3.out.ezfio/ao_basis/ao_nucl.gz
9b35e2a02ecae92c944cd0800edcee97 C2H3.out.ezfio/ao_basis/ao_num
272f5b6a0037c27a143f0c56529e5633 C2H3.out.ezfio/ao_basis/ao_power.gz
83320f13a9b4471eb39da4248f70ad88 C2H3.out.ezfio/ao_basis/ao_prim_num.gz
6156a0908e61aaf7a450978fcd37322d C2H3.out.ezfio/electrons/elec_alpha_num
4e94260b47ac90ce146cf693b6ea796f C2H3.out.ezfio/electrons/elec_beta_num
b84353f221ae2a8d4d5c2755c53655e6 C2H3.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf C2H3.out.ezfio/ezfio/library
b678e068a2a6b50f52bbf54a0ee6679a C2H3.out.ezfio/mo_basis/mo_coef.gz
0eb1c4ff6d77027c71f0811db0f7d156 C2H3.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 C2H3.out.ezfio/mo_basis/mo_label
70ef6425870dca943d742e647811e115 C2H3.out.ezfio/mo_basis/mo_occ.gz
ba26a4f762afc0e498b57c4a88e11afc C2H3.out.ezfio/mo_basis/mo_symmetry.gz
5ba32d93aaa7cc90860fecd76c616fee C2H3.out.ezfio/mo_basis/mo_tot_num
702afcf3e8d4abe50c1a47ea93992569 C2H3.out.ezfio/nuclei/nucl_charge.gz
247c026716b48999b8f7788c9aef0f1d C2H3.out.ezfio/nuclei/nucl_coord.gz
d765d41448fe246fcc034b66e2768837 C2H3.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b C2H3.out.ezfio/output/empty

20
data/inputs/C2H4+.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
cdcb25f643f7948a8d1f3822b70787ea C2H4+.out.ezfio/ao_basis/ao_coef.gz
4a21f2eecbb61e078644bf3366b9f368 C2H4+.out.ezfio/ao_basis/ao_expo.gz
c33eac1742f262f192eff69824faa7ae C2H4+.out.ezfio/ao_basis/ao_nucl.gz
f5e60ae18b7c53706d84e2d455c3d355 C2H4+.out.ezfio/ao_basis/ao_num
79ccfe82904778bf7a07eb589c746d6e C2H4+.out.ezfio/ao_basis/ao_power.gz
6667707b99be6a702be4a4e36b79ce2c C2H4+.out.ezfio/ao_basis/ao_prim_num.gz
6156a0908e61aaf7a450978fcd37322d C2H4+.out.ezfio/electrons/elec_alpha_num
4e94260b47ac90ce146cf693b6ea796f C2H4+.out.ezfio/electrons/elec_beta_num
698700a8414b4a2344328610cb39b7a1 C2H4+.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf C2H4+.out.ezfio/ezfio/library
03a88f94d00302c85cbc5a144867b824 C2H4+.out.ezfio/mo_basis/mo_coef.gz
cb5c99f8304067e31853bb03f0fb5081 C2H4+.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 C2H4+.out.ezfio/mo_basis/mo_label
ae12b6050b180b02e3c00a341de6af62 C2H4+.out.ezfio/mo_basis/mo_occ.gz
c8a2a888163038e0ac2b0fe23b99887d C2H4+.out.ezfio/mo_basis/mo_symmetry.gz
549c7c5c03725b189fd79c482eeecbb0 C2H4+.out.ezfio/mo_basis/mo_tot_num
f7d42ee9efd4746c526ccc9820354e49 C2H4+.out.ezfio/nuclei/nucl_charge.gz
bd1ee1cbf099a2e79b0d23bddcce7013 C2H4+.out.ezfio/nuclei/nucl_coord.gz
503018260a2f6fc8557fcf29300fa8bb C2H4+.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b C2H4+.out.ezfio/output/empty

20
data/inputs/C2H4.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
c4cea96d05ec087ea8d4f122b6d4a388 C2H4.out.ezfio/ao_basis/ao_coef.gz
72d4aa44acec3c6f156db81827622759 C2H4.out.ezfio/ao_basis/ao_expo.gz
dc9fddd032a006cf019f92f09b4ff85f C2H4.out.ezfio/ao_basis/ao_nucl.gz
f5e60ae18b7c53706d84e2d455c3d355 C2H4.out.ezfio/ao_basis/ao_num
991de3e7ba483e8c43202e71c2d1d414 C2H4.out.ezfio/ao_basis/ao_power.gz
1fcf8d82d200db86ca430246ad81f1f8 C2H4.out.ezfio/ao_basis/ao_prim_num.gz
6156a0908e61aaf7a450978fcd37322d C2H4.out.ezfio/electrons/elec_alpha_num
6156a0908e61aaf7a450978fcd37322d C2H4.out.ezfio/electrons/elec_beta_num
698700a8414b4a2344328610cb39b7a1 C2H4.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf C2H4.out.ezfio/ezfio/library
a5e96209acd27b8de90ccb319d06fd71 C2H4.out.ezfio/mo_basis/mo_coef.gz
b8f32542960ecac398c10142cd7ec1ad C2H4.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 C2H4.out.ezfio/mo_basis/mo_label
dcae8ac1748786ae8f5a317f23832605 C2H4.out.ezfio/mo_basis/mo_occ.gz
1e96295954f7133ae7f4864ac41665be C2H4.out.ezfio/mo_basis/mo_symmetry.gz
549c7c5c03725b189fd79c482eeecbb0 C2H4.out.ezfio/mo_basis/mo_tot_num
cfb564521dafd2bfcff2ffd64c181567 C2H4.out.ezfio/nuclei/nucl_charge.gz
0735cca5e3309dc89ce09df5302a441e C2H4.out.ezfio/nuclei/nucl_coord.gz
503018260a2f6fc8557fcf29300fa8bb C2H4.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b C2H4.out.ezfio/output/empty

20
data/inputs/C2H5.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
5d0c590310b937ad42bab3071f7aa1f7 C2H5.out.ezfio/ao_basis/ao_coef.gz
fa039c9ad22cb7392760353b4657e6bc C2H5.out.ezfio/ao_basis/ao_expo.gz
c9f03c936e13bd5ebd424ad3a829bfd6 C2H5.out.ezfio/ao_basis/ao_nucl.gz
93b2ef6f959810177ebe5d5f79899d50 C2H5.out.ezfio/ao_basis/ao_num
ee4fb103463a29824a666621ec1ec6c8 C2H5.out.ezfio/ao_basis/ao_power.gz
4f9a5f3de727989492655e40a561d111 C2H5.out.ezfio/ao_basis/ao_prim_num.gz
6ddd54f604d3a6c6e28eebd0b6e08ddc C2H5.out.ezfio/electrons/elec_alpha_num
6156a0908e61aaf7a450978fcd37322d C2H5.out.ezfio/electrons/elec_beta_num
c41c4951d286e9a657872abe2c1809d7 C2H5.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf C2H5.out.ezfio/ezfio/library
1ebb8468588e2ac17d06a64e69cd0d91 C2H5.out.ezfio/mo_basis/mo_coef.gz
64aa5ba651179f19f896e869e8c66217 C2H5.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 C2H5.out.ezfio/mo_basis/mo_label
fbcbb511397a53633472c56389c0cbae C2H5.out.ezfio/mo_basis/mo_occ.gz
287c60635ec0ffa836980452614056fa C2H5.out.ezfio/mo_basis/mo_symmetry.gz
c1e625c95fbf54fb8648fe87a1d5b013 C2H5.out.ezfio/mo_basis/mo_tot_num
17894a4d5a341d5970f07114a6ca22b4 C2H5.out.ezfio/nuclei/nucl_charge.gz
6a52eddb1eae75dc20f606da1d60e0d0 C2H5.out.ezfio/nuclei/nucl_coord.gz
4e94260b47ac90ce146cf693b6ea796f C2H5.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b C2H5.out.ezfio/output/empty

20
data/inputs/C2H6.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
44a2b770ea8a396cf9efb8d8f6834a57 C2H6.out.ezfio/ao_basis/ao_coef.gz
604eb9486d2deadd55cc0b6e4626b4b7 C2H6.out.ezfio/ao_basis/ao_expo.gz
ac465f50599b1f634801c3487a786d1c C2H6.out.ezfio/ao_basis/ao_nucl.gz
144861757faf19fd49623b64598f823d C2H6.out.ezfio/ao_basis/ao_num
6dc1582608bf5e05a14c09728e23cb33 C2H6.out.ezfio/ao_basis/ao_power.gz
eb368c3535340d0acc34378d070a283a C2H6.out.ezfio/ao_basis/ao_prim_num.gz
6ddd54f604d3a6c6e28eebd0b6e08ddc C2H6.out.ezfio/electrons/elec_alpha_num
6ddd54f604d3a6c6e28eebd0b6e08ddc C2H6.out.ezfio/electrons/elec_beta_num
c41c4951d286e9a657872abe2c1809d7 C2H6.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf C2H6.out.ezfio/ezfio/library
ec437dfa00d638058abdb2877af87c91 C2H6.out.ezfio/mo_basis/mo_coef.gz
4ad90c09d2c93d594aa48545a0e6dc1e C2H6.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 C2H6.out.ezfio/mo_basis/mo_label
11fdef4a617de3533ee7472d1d15bbc2 C2H6.out.ezfio/mo_basis/mo_occ.gz
85128975f4ef5082aad6e1d1b0a6f5b9 C2H6.out.ezfio/mo_basis/mo_symmetry.gz
7b02ec1aa5d73b2c30b4321858a7b17b C2H6.out.ezfio/mo_basis/mo_tot_num
ebdcd75d236ecce2b7fc5a4cf6390734 C2H6.out.ezfio/nuclei/nucl_charge.gz
12c0261e945ba5c4f1b2d396f3a0709b C2H6.out.ezfio/nuclei/nucl_coord.gz
6156a0908e61aaf7a450978fcd37322d C2H6.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b C2H6.out.ezfio/output/empty

20
data/inputs/CCl.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
d6a9c60dc1caf91682e6093d3abcb50e CCl.out.ezfio/ao_basis/ao_coef.gz
ec789de7612d8843ed8ad838309d1985 CCl.out.ezfio/ao_basis/ao_expo.gz
224c5cc9deeae2ec48aa9635f5fe45a1 CCl.out.ezfio/ao_basis/ao_nucl.gz
3684cba18cb251696e3efbe2a411ff51 CCl.out.ezfio/ao_basis/ao_num
88e7e28ef984201bacb19cf504ef3d46 CCl.out.ezfio/ao_basis/ao_power.gz
28b50873939ab9c1fcf3def322327b30 CCl.out.ezfio/ao_basis/ao_prim_num.gz
8d6827f8fa944d207bb6ef46c5619939 CCl.out.ezfio/electrons/elec_alpha_num
86a89aacd3c5e8bdec809a62620500e9 CCl.out.ezfio/electrons/elec_beta_num
09a7d66830838985c221023fbf8a1edf CCl.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CCl.out.ezfio/ezfio/library
4fa0381e6e1f278cc311517e589c6e7c CCl.out.ezfio/mo_basis/mo_coef.gz
0b995c681cb06d5e72852b5dcec27f80 CCl.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 CCl.out.ezfio/mo_basis/mo_label
f8bb4cc48b91667272f620b014e3e15d CCl.out.ezfio/mo_basis/mo_occ.gz
f38ea470ecce8d1d70ec35269aa33a54 CCl.out.ezfio/mo_basis/mo_symmetry.gz
ec138cf55b9da2ea6b9d151433df2baf CCl.out.ezfio/mo_basis/mo_tot_num
bf2b183518e92087ca8020ef465de91e CCl.out.ezfio/nuclei/nucl_charge.gz
1e42dd61a4e5a28a45c3c1edf1f69f65 CCl.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 CCl.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CCl.out.ezfio/output/empty

20
data/inputs/CF.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
d33edb2cb08813d10988601bb78df87e CF.out.ezfio/ao_basis/ao_coef.gz
09ef14389bfa7473cbc1e101a30a7064 CF.out.ezfio/ao_basis/ao_expo.gz
a471925648a55d93c4617108b0bf904c CF.out.ezfio/ao_basis/ao_nucl.gz
c9d2e4f9d10db875d4396ee02bce67cb CF.out.ezfio/ao_basis/ao_num
5723d0a611bb38a2eb5d12fa076f8514 CF.out.ezfio/ao_basis/ao_power.gz
f470e798fe76b8fb0ea5bb45971840e2 CF.out.ezfio/ao_basis/ao_prim_num.gz
6156a0908e61aaf7a450978fcd37322d CF.out.ezfio/electrons/elec_alpha_num
4e94260b47ac90ce146cf693b6ea796f CF.out.ezfio/electrons/elec_beta_num
09a7d66830838985c221023fbf8a1edf CF.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CF.out.ezfio/ezfio/library
f977f49c10ffb489cbf32b1fa823c0ea CF.out.ezfio/mo_basis/mo_coef.gz
03d1a59e4ed0e206b0034a3bcab0e1a1 CF.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 CF.out.ezfio/mo_basis/mo_label
d4749404f333c13b90a4367d8d68008e CF.out.ezfio/mo_basis/mo_occ.gz
e7db6972c10a5e38ce41953a84c0acf6 CF.out.ezfio/mo_basis/mo_symmetry.gz
86ab60aaf6bd682019491d338a44e5f2 CF.out.ezfio/mo_basis/mo_tot_num
9531860a9f39ac0f6080239241f582fb CF.out.ezfio/nuclei/nucl_charge.gz
ae2d50b4bfa980b66bf8fa8e7e6ddc60 CF.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 CF.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CF.out.ezfio/output/empty

20
data/inputs/CH-.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
da3e5edde9f4a15a0b6aa9755fb92c3e CH-.out.ezfio/ao_basis/ao_coef.gz
c02b6c8dd6fa6faf8c16095dd1ba2610 CH-.out.ezfio/ao_basis/ao_expo.gz
afece3985e92f3e4281c6b853a08827a CH-.out.ezfio/ao_basis/ao_nucl.gz
1d3287b26b02daefbb941c9d6940348e CH-.out.ezfio/ao_basis/ao_num
3f2fa28ba324df7802f195ccc33c230e CH-.out.ezfio/ao_basis/ao_power.gz
11ef7a089e3395fb88286f033f79d882 CH-.out.ezfio/ao_basis/ao_prim_num.gz
d765d41448fe246fcc034b66e2768837 CH-.out.ezfio/electrons/elec_alpha_num
fc7192d47339d0d2b75886b578c1b041 CH-.out.ezfio/electrons/elec_beta_num
ce765b241d65930f1c5ff5bd6e808796 CH-.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CH-.out.ezfio/ezfio/library
a11031101e161c87e8d8620ec0b7f7b2 CH-.out.ezfio/mo_basis/mo_coef.gz
91a74ed7c71e3015a4ff281402a5cf25 CH-.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 CH-.out.ezfio/mo_basis/mo_label
25c7520bacfdac0629e0b1a77741b588 CH-.out.ezfio/mo_basis/mo_occ.gz
d2991bed0c02742e2b264192d4a30896 CH-.out.ezfio/mo_basis/mo_symmetry.gz
a62103800a061f58b2b696f7c5119e54 CH-.out.ezfio/mo_basis/mo_tot_num
31fc01e49a083c2d5ca727bb6f2239d9 CH-.out.ezfio/nuclei/nucl_charge.gz
5fd6fafba21e1c1e008547947b816d7a CH-.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 CH-.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CH-.out.ezfio/output/empty

20
data/inputs/CH.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
06d82d2c22657b2d9eea050d532af750 CH.out.ezfio/ao_basis/ao_coef.gz
53a54d907321d3e19c09603005f46100 CH.out.ezfio/ao_basis/ao_expo.gz
028e0a9811a9761b7a140ded81363b22 CH.out.ezfio/ao_basis/ao_nucl.gz
1d3287b26b02daefbb941c9d6940348e CH.out.ezfio/ao_basis/ao_num
e61ec7fb5cd089110231a60e98222901 CH.out.ezfio/ao_basis/ao_power.gz
8fcc86497e90117b6b1ae68b6937ad2a CH.out.ezfio/ao_basis/ao_prim_num.gz
a5ae057cdae95f3930403204a9c9cbe2 CH.out.ezfio/electrons/elec_alpha_num
fc7192d47339d0d2b75886b578c1b041 CH.out.ezfio/electrons/elec_beta_num
ce765b241d65930f1c5ff5bd6e808796 CH.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CH.out.ezfio/ezfio/library
3e590571d41d1c6c84ecd56e23e0e79a CH.out.ezfio/mo_basis/mo_coef.gz
106820ff4531f1451e8668e65a7cf058 CH.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 CH.out.ezfio/mo_basis/mo_label
6b706255efd1ed33860bf1a9299e1696 CH.out.ezfio/mo_basis/mo_occ.gz
b5aba48c4b6477f1b8d1e5e31238538d CH.out.ezfio/mo_basis/mo_symmetry.gz
a62103800a061f58b2b696f7c5119e54 CH.out.ezfio/mo_basis/mo_tot_num
c310faa187aaa53b83ff2100c1bc5d57 CH.out.ezfio/nuclei/nucl_charge.gz
d5a108f4eca365632c6fcd5a6195cccf CH.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 CH.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CH.out.ezfio/output/empty

20
data/inputs/CH2-.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
14d95778a4fee0bb0dbe9344bca488dd CH2-.out.ezfio/ao_basis/ao_coef.gz
fbe16b435a8123fcca9c2d3c024bffd1 CH2-.out.ezfio/ao_basis/ao_expo.gz
0e664191843becc874de4819879295ce CH2-.out.ezfio/ao_basis/ao_nucl.gz
d1f6a39a32f2dfe572f3b9d12ec2ba48 CH2-.out.ezfio/ao_basis/ao_num
71f3b13d341de438ba1f324c8eb861d7 CH2-.out.ezfio/ao_basis/ao_power.gz
4515a0ab3ad47026145ea7298c9cd9a6 CH2-.out.ezfio/ao_basis/ao_prim_num.gz
d765d41448fe246fcc034b66e2768837 CH2-.out.ezfio/electrons/elec_alpha_num
a5ae057cdae95f3930403204a9c9cbe2 CH2-.out.ezfio/electrons/elec_beta_num
c715ddec29559389ec3e0f9261c5a5c2 CH2-.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CH2-.out.ezfio/ezfio/library
3499340acb238540acfe86eadfa45594 CH2-.out.ezfio/mo_basis/mo_coef.gz
2f11f9b5c65e260a47d997f3c9517670 CH2-.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 CH2-.out.ezfio/mo_basis/mo_label
a5a69b9da30ac0dbd6044e53c8dbea48 CH2-.out.ezfio/mo_basis/mo_occ.gz
b03c789baf7f0d5f4ac3876312f2178d CH2-.out.ezfio/mo_basis/mo_symmetry.gz
451c4341193e051f7bce31747b7857ac CH2-.out.ezfio/mo_basis/mo_tot_num
2ed2a3ac117a97de13fd3f27ab139477 CH2-.out.ezfio/nuclei/nucl_charge.gz
7312e516567b0d1a1ccf4a7ebef77537 CH2-.out.ezfio/nuclei/nucl_coord.gz
fc7192d47339d0d2b75886b578c1b041 CH2-.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CH2-.out.ezfio/output/empty

20
data/inputs/CH2_1A1.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
60ba66767d78f51691285934f4201719 CH2_1A1.out.ezfio/ao_basis/ao_coef.gz
7e30ccd50dfb95d96f27025edc93c2ec CH2_1A1.out.ezfio/ao_basis/ao_expo.gz
4dad06016b8eaf32ef6998242ad73b08 CH2_1A1.out.ezfio/ao_basis/ao_nucl.gz
d1f6a39a32f2dfe572f3b9d12ec2ba48 CH2_1A1.out.ezfio/ao_basis/ao_num
9a8ab2376e400fd4d1e38cfbc0cac3a0 CH2_1A1.out.ezfio/ao_basis/ao_power.gz
9dd0fe680931fbc40cc77bf26864f127 CH2_1A1.out.ezfio/ao_basis/ao_prim_num.gz
a5ae057cdae95f3930403204a9c9cbe2 CH2_1A1.out.ezfio/electrons/elec_alpha_num
a5ae057cdae95f3930403204a9c9cbe2 CH2_1A1.out.ezfio/electrons/elec_beta_num
c715ddec29559389ec3e0f9261c5a5c2 CH2_1A1.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CH2_1A1.out.ezfio/ezfio/library
240c0df41e8d487a05d1bed37d2b8045 CH2_1A1.out.ezfio/mo_basis/mo_coef.gz
93feabbd4ee9cb8dccf0ad68ed197927 CH2_1A1.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 CH2_1A1.out.ezfio/mo_basis/mo_label
bb05074c0eeee533cbcbe377d1b68084 CH2_1A1.out.ezfio/mo_basis/mo_occ.gz
0e9070b7203f3a7cd3fd51fff466629f CH2_1A1.out.ezfio/mo_basis/mo_symmetry.gz
451c4341193e051f7bce31747b7857ac CH2_1A1.out.ezfio/mo_basis/mo_tot_num
160ba148c894ee1ee16090317f1e708e CH2_1A1.out.ezfio/nuclei/nucl_charge.gz
d5554dcf1b915726d22a1d3cf4b121e3 CH2_1A1.out.ezfio/nuclei/nucl_coord.gz
fc7192d47339d0d2b75886b578c1b041 CH2_1A1.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CH2_1A1.out.ezfio/output/empty

20
data/inputs/CH2_3B1.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
89fdb8993d9960074e8594fae20a621f CH2_3B1.out.ezfio/ao_basis/ao_coef.gz
b2561c31eb5b8d43fa7713f703a1d3a9 CH2_3B1.out.ezfio/ao_basis/ao_expo.gz
49676ef2e04dc631cf0f3e57fad08ada CH2_3B1.out.ezfio/ao_basis/ao_nucl.gz
d1f6a39a32f2dfe572f3b9d12ec2ba48 CH2_3B1.out.ezfio/ao_basis/ao_num
85bc3b10121b3711c17cf1ed07f790e2 CH2_3B1.out.ezfio/ao_basis/ao_power.gz
c82e18b65f662e5ddb69eafac2a5ab48 CH2_3B1.out.ezfio/ao_basis/ao_prim_num.gz
d765d41448fe246fcc034b66e2768837 CH2_3B1.out.ezfio/electrons/elec_alpha_num
fc7192d47339d0d2b75886b578c1b041 CH2_3B1.out.ezfio/electrons/elec_beta_num
c715ddec29559389ec3e0f9261c5a5c2 CH2_3B1.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CH2_3B1.out.ezfio/ezfio/library
a84a87b045d28585602e137ead6b84b4 CH2_3B1.out.ezfio/mo_basis/mo_coef.gz
aa35088af7f804150ecc67482c1cfd16 CH2_3B1.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 CH2_3B1.out.ezfio/mo_basis/mo_label
5f479e4a9cf7cf32762dadd7f8f78fd3 CH2_3B1.out.ezfio/mo_basis/mo_occ.gz
3a9b626ee922548703f265f746648577 CH2_3B1.out.ezfio/mo_basis/mo_symmetry.gz
451c4341193e051f7bce31747b7857ac CH2_3B1.out.ezfio/mo_basis/mo_tot_num
ad8415f7327a0041ad3ec19e7b14c836 CH2_3B1.out.ezfio/nuclei/nucl_charge.gz
3372da9db416ab1a763bc71273b00990 CH2_3B1.out.ezfio/nuclei/nucl_coord.gz
fc7192d47339d0d2b75886b578c1b041 CH2_3B1.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CH2_3B1.out.ezfio/output/empty

20
data/inputs/CH3-.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
dc060db23aa1c39e258fab2b1f354ee2 CH3-.out.ezfio/ao_basis/ao_coef.gz
b79070b3f935508733c22e7045d2cd46 CH3-.out.ezfio/ao_basis/ao_expo.gz
c9f077acf18dab3cbfc6153dac9fb485 CH3-.out.ezfio/ao_basis/ao_nucl.gz
c9d2e4f9d10db875d4396ee02bce67cb CH3-.out.ezfio/ao_basis/ao_num
a1e3f70e191f4ccf9323b357f718b592 CH3-.out.ezfio/ao_basis/ao_power.gz
76b35a71354ac415934b6fb58de0f94a CH3-.out.ezfio/ao_basis/ao_prim_num.gz
d765d41448fe246fcc034b66e2768837 CH3-.out.ezfio/electrons/elec_alpha_num
d765d41448fe246fcc034b66e2768837 CH3-.out.ezfio/electrons/elec_beta_num
c715ddec29559389ec3e0f9261c5a5c2 CH3-.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CH3-.out.ezfio/ezfio/library
ed7ed2f81ba3e5e40cef9a927e10694f CH3-.out.ezfio/mo_basis/mo_coef.gz
eb296a36a582f193b0ed3ed08db5b319 CH3-.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 CH3-.out.ezfio/mo_basis/mo_label
ac4700c5c31c82d5a01c79e01cae7c3a CH3-.out.ezfio/mo_basis/mo_occ.gz
8fc2f9c863944ca56137d800113a9b76 CH3-.out.ezfio/mo_basis/mo_symmetry.gz
4060e3d8c144f496022427a2c22aeb85 CH3-.out.ezfio/mo_basis/mo_tot_num
01b1509839982a9d809897254e460725 CH3-.out.ezfio/nuclei/nucl_charge.gz
db2d5d842347d1b88a99bce1fb62810e CH3-.out.ezfio/nuclei/nucl_coord.gz
a5ae057cdae95f3930403204a9c9cbe2 CH3-.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CH3-.out.ezfio/output/empty

20
data/inputs/CH3.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
fd45c04272db5b93d6e2fdc012ce6070 CH3.out.ezfio/ao_basis/ao_coef.gz
19586f6c3fee0a37a4ea4cbaf53d6d9b CH3.out.ezfio/ao_basis/ao_expo.gz
de6314c7cf526ff31e2ec94df3f1c3d5 CH3.out.ezfio/ao_basis/ao_nucl.gz
c9d2e4f9d10db875d4396ee02bce67cb CH3.out.ezfio/ao_basis/ao_num
20ad229ec02a232632eb11815a99422e CH3.out.ezfio/ao_basis/ao_power.gz
914248c836162db0e8a6eed97bc531e8 CH3.out.ezfio/ao_basis/ao_prim_num.gz
d765d41448fe246fcc034b66e2768837 CH3.out.ezfio/electrons/elec_alpha_num
a5ae057cdae95f3930403204a9c9cbe2 CH3.out.ezfio/electrons/elec_beta_num
c715ddec29559389ec3e0f9261c5a5c2 CH3.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CH3.out.ezfio/ezfio/library
ac7bd4aba9ca3c75babdc74896a8e57f CH3.out.ezfio/mo_basis/mo_coef.gz
5873fdcc558cc2ecbf81af0f109c5762 CH3.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 CH3.out.ezfio/mo_basis/mo_label
7a016599dec98f93568a072e00aee65b CH3.out.ezfio/mo_basis/mo_occ.gz
33121888a2a6149a93f5cec7dfba59a9 CH3.out.ezfio/mo_basis/mo_symmetry.gz
4060e3d8c144f496022427a2c22aeb85 CH3.out.ezfio/mo_basis/mo_tot_num
cf8c8bd7f9ca4c2c75bd02f9ca85cd0d CH3.out.ezfio/nuclei/nucl_charge.gz
13a1204212e7965f237fc8dad6b6f9d1 CH3.out.ezfio/nuclei/nucl_coord.gz
a5ae057cdae95f3930403204a9c9cbe2 CH3.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CH3.out.ezfio/output/empty

20
data/inputs/CH4+.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
d9e120eb547ccf272f83095b183d2251 CH4+.out.ezfio/ao_basis/ao_coef.gz
32266b4ff379d72cea3cbfad5d6c3dc8 CH4+.out.ezfio/ao_basis/ao_expo.gz
05d49f4f4259bc714ebab13f9c72e1ce CH4+.out.ezfio/ao_basis/ao_nucl.gz
ea2a34d42beeb57bfa1b3f55ec5280ef CH4+.out.ezfio/ao_basis/ao_num
89b3f73f92a811e3f01676f3828c9d20 CH4+.out.ezfio/ao_basis/ao_power.gz
66aee43813a14692fd7824de19327f35 CH4+.out.ezfio/ao_basis/ao_prim_num.gz
d765d41448fe246fcc034b66e2768837 CH4+.out.ezfio/electrons/elec_alpha_num
a5ae057cdae95f3930403204a9c9cbe2 CH4+.out.ezfio/electrons/elec_beta_num
ce765b241d65930f1c5ff5bd6e808796 CH4+.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CH4+.out.ezfio/ezfio/library
bf193dbcb46621c70938bd60d9945a62 CH4+.out.ezfio/mo_basis/mo_coef.gz
889b3db43fb872f514d271bf31900d5a CH4+.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 CH4+.out.ezfio/mo_basis/mo_label
995f1a2737468750c9b5db44ddf2cab2 CH4+.out.ezfio/mo_basis/mo_occ.gz
61b3ea3d0d2504d6f021a10063003357 CH4+.out.ezfio/mo_basis/mo_symmetry.gz
3684cba18cb251696e3efbe2a411ff51 CH4+.out.ezfio/mo_basis/mo_tot_num
d659754d7dbdd4805c010ab798399364 CH4+.out.ezfio/nuclei/nucl_charge.gz
659e62f89808210a5380c8659adcbba4 CH4+.out.ezfio/nuclei/nucl_coord.gz
d765d41448fe246fcc034b66e2768837 CH4+.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CH4+.out.ezfio/output/empty

20
data/inputs/CH4.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
21dbddf7ba17565a38549ad086d9f648 CH4.out.ezfio/ao_basis/ao_coef.gz
8872e86b8891f2bb90e313f395e3f0eb CH4.out.ezfio/ao_basis/ao_expo.gz
a663bafd5d7e6bb9dd1ea9b6af0b522a CH4.out.ezfio/ao_basis/ao_nucl.gz
ea2a34d42beeb57bfa1b3f55ec5280ef CH4.out.ezfio/ao_basis/ao_num
686102156171d4cecd6c41c94d3c3379 CH4.out.ezfio/ao_basis/ao_power.gz
0ce1a5ef9b851f003d99b9c8debb1629 CH4.out.ezfio/ao_basis/ao_prim_num.gz
d765d41448fe246fcc034b66e2768837 CH4.out.ezfio/electrons/elec_alpha_num
d765d41448fe246fcc034b66e2768837 CH4.out.ezfio/electrons/elec_beta_num
ce765b241d65930f1c5ff5bd6e808796 CH4.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CH4.out.ezfio/ezfio/library
e79ced2bf6c288f39836d4d2e8f1b341 CH4.out.ezfio/mo_basis/mo_coef.gz
92f56e4a53f9ec9e25966fabbedfb0d9 CH4.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 CH4.out.ezfio/mo_basis/mo_label
f1b8043ddab02f11f1fd13780799effb CH4.out.ezfio/mo_basis/mo_occ.gz
3d5bef0990a11e90c79c4c65ecf8d7ae CH4.out.ezfio/mo_basis/mo_symmetry.gz
3684cba18cb251696e3efbe2a411ff51 CH4.out.ezfio/mo_basis/mo_tot_num
fe745a7549349fa132b11fddce98f53e CH4.out.ezfio/nuclei/nucl_charge.gz
7982f73d16181978cb0cd601f0a59028 CH4.out.ezfio/nuclei/nucl_coord.gz
d765d41448fe246fcc034b66e2768837 CH4.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CH4.out.ezfio/output/empty

20
data/inputs/CN-.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
a1b4c201a48a9673b0557b4e5e8baf0e CN-.out.ezfio/ao_basis/ao_coef.gz
44e0cc33afc7184356d65162ace3ef4f CN-.out.ezfio/ao_basis/ao_expo.gz
c8bda7f2d4955e57c3b02a27f3deafb8 CN-.out.ezfio/ao_basis/ao_nucl.gz
c9d2e4f9d10db875d4396ee02bce67cb CN-.out.ezfio/ao_basis/ao_num
3b837bcb76f7311552f966d360af3ee3 CN-.out.ezfio/ao_basis/ao_power.gz
394cb6c1368a83ecf457d7be793a02ec CN-.out.ezfio/ao_basis/ao_prim_num.gz
4e94260b47ac90ce146cf693b6ea796f CN-.out.ezfio/electrons/elec_alpha_num
4e94260b47ac90ce146cf693b6ea796f CN-.out.ezfio/electrons/elec_beta_num
9e9e0ea580616858707a7aa3e9c2fe1a CN-.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CN-.out.ezfio/ezfio/library
52dc695e2df168f4261a5d3910b56c41 CN-.out.ezfio/mo_basis/mo_coef.gz
628c5191f2bc58675bd475d5df1814e8 CN-.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 CN-.out.ezfio/mo_basis/mo_label
fffc5f6e19b9505aa74a1b08bb4e8ff6 CN-.out.ezfio/mo_basis/mo_occ.gz
014ceb59e8d8ef591f7de3493a69b11a CN-.out.ezfio/mo_basis/mo_symmetry.gz
86ab60aaf6bd682019491d338a44e5f2 CN-.out.ezfio/mo_basis/mo_tot_num
c71eaa61696796536a6cb90189885141 CN-.out.ezfio/nuclei/nucl_charge.gz
2120ac54c5c398f1c4fcf7aea550476c CN-.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 CN-.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CN-.out.ezfio/output/empty

20
data/inputs/CN.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
2fb1d26700e88166203719e7d19aa607 CN.out.ezfio/ao_basis/ao_coef.gz
7d8a4951aea653801e14d28cab4a4458 CN.out.ezfio/ao_basis/ao_expo.gz
7e073d1f68c03b677b4239fb0083c89c CN.out.ezfio/ao_basis/ao_nucl.gz
c9d2e4f9d10db875d4396ee02bce67cb CN.out.ezfio/ao_basis/ao_num
8071b26dae120a9490c4650e1ab33f8b CN.out.ezfio/ao_basis/ao_power.gz
1dfec7d900eff9ed66918ba80b903ad5 CN.out.ezfio/ao_basis/ao_prim_num.gz
4e94260b47ac90ce146cf693b6ea796f CN.out.ezfio/electrons/elec_alpha_num
503018260a2f6fc8557fcf29300fa8bb CN.out.ezfio/electrons/elec_beta_num
9e9e0ea580616858707a7aa3e9c2fe1a CN.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CN.out.ezfio/ezfio/library
222e064b4d67a2b3d619026c6f041c50 CN.out.ezfio/mo_basis/mo_coef.gz
acd4cd1af3a12a9720fb00c82a5f1161 CN.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 CN.out.ezfio/mo_basis/mo_label
d7eb9862e2058283171213006f95c91b CN.out.ezfio/mo_basis/mo_occ.gz
8d67a91b40e6bcec16d9705854557eb5 CN.out.ezfio/mo_basis/mo_symmetry.gz
86ab60aaf6bd682019491d338a44e5f2 CN.out.ezfio/mo_basis/mo_tot_num
4afb4a2a390dbc2047845b8318b8458b CN.out.ezfio/nuclei/nucl_charge.gz
82d220b55f0e478e690010a635230025 CN.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 CN.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CN.out.ezfio/output/empty

20
data/inputs/CO+.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
09a151139911804a4e74d9f529e44255 CO+.out.ezfio/ao_basis/ao_coef.gz
3f571f14596629c17c7e757513d9ae35 CO+.out.ezfio/ao_basis/ao_expo.gz
dd765f77d52bdc10a899c0ea69489431 CO+.out.ezfio/ao_basis/ao_nucl.gz
c9d2e4f9d10db875d4396ee02bce67cb CO+.out.ezfio/ao_basis/ao_num
21a6b64d325960e79b3cad379345a0d3 CO+.out.ezfio/ao_basis/ao_power.gz
b73c23df0d297a867f127d5a016fce82 CO+.out.ezfio/ao_basis/ao_prim_num.gz
4e94260b47ac90ce146cf693b6ea796f CO+.out.ezfio/electrons/elec_alpha_num
503018260a2f6fc8557fcf29300fa8bb CO+.out.ezfio/electrons/elec_beta_num
15de91fad5d928f39cb20038202edd5f CO+.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CO+.out.ezfio/ezfio/library
9db16b7ec7de6c7899803ebe603e06f1 CO+.out.ezfio/mo_basis/mo_coef.gz
08c9937551c3dcd8721d88bad8afeb00 CO+.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 CO+.out.ezfio/mo_basis/mo_label
44538482abebaa38b8518b78cb01fd81 CO+.out.ezfio/mo_basis/mo_occ.gz
56b426c8e0f6785445dcad658bd8d280 CO+.out.ezfio/mo_basis/mo_symmetry.gz
86ab60aaf6bd682019491d338a44e5f2 CO+.out.ezfio/mo_basis/mo_tot_num
fef3d1f02b4e2e957a1902d1444d945c CO+.out.ezfio/nuclei/nucl_charge.gz
fc14347a9809418d9659f9cee1cdd042 CO+.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 CO+.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CO+.out.ezfio/output/empty

20
data/inputs/CO.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
3499229dc0ad68d73fde2bb69ebe164e CO.out.ezfio/ao_basis/ao_coef.gz
cb9103693c32cb5c6ab9d33b3df834f3 CO.out.ezfio/ao_basis/ao_expo.gz
4a3c49465b048d0d0957e48dd5ac4474 CO.out.ezfio/ao_basis/ao_nucl.gz
c9d2e4f9d10db875d4396ee02bce67cb CO.out.ezfio/ao_basis/ao_num
240de14ab7240754e3a015ebc1ddf5af CO.out.ezfio/ao_basis/ao_power.gz
bd8b8d5c093224aef72d13de071339d8 CO.out.ezfio/ao_basis/ao_prim_num.gz
4e94260b47ac90ce146cf693b6ea796f CO.out.ezfio/electrons/elec_alpha_num
4e94260b47ac90ce146cf693b6ea796f CO.out.ezfio/electrons/elec_beta_num
9e9e0ea580616858707a7aa3e9c2fe1a CO.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CO.out.ezfio/ezfio/library
12eecafec5061e9f5eefeb9890c24dfa CO.out.ezfio/mo_basis/mo_coef.gz
d1215c893c29062a80346a5b7b4b9b18 CO.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 CO.out.ezfio/mo_basis/mo_label
bbcd8d618e77584bff225b467bc3dbd1 CO.out.ezfio/mo_basis/mo_occ.gz
65e036d0949f31d65dec4f71b245e1ca CO.out.ezfio/mo_basis/mo_symmetry.gz
86ab60aaf6bd682019491d338a44e5f2 CO.out.ezfio/mo_basis/mo_tot_num
7bb5a5e23ce64d8a52e98e924d0b4c34 CO.out.ezfio/nuclei/nucl_charge.gz
45d5abab2d7f33900404a0d0fe476da4 CO.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 CO.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CO.out.ezfio/output/empty

20
data/inputs/CO2.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
931b21a1be56abadcbfeebdbaedf5cfd CO2.out.ezfio/ao_basis/ao_coef.gz
d979ae288655707aef7281825ff2bbee CO2.out.ezfio/ao_basis/ao_expo.gz
8a689b64fccc8ca5709d9f5df7679972 CO2.out.ezfio/ao_basis/ao_nucl.gz
9b35e2a02ecae92c944cd0800edcee97 CO2.out.ezfio/ao_basis/ao_num
33d4a33bf1d2903e0cb45ffae61d5811 CO2.out.ezfio/ao_basis/ao_power.gz
5ecac79d5b2e7f4ecc7a18e86aa728e3 CO2.out.ezfio/ao_basis/ao_prim_num.gz
86a89aacd3c5e8bdec809a62620500e9 CO2.out.ezfio/electrons/elec_alpha_num
86a89aacd3c5e8bdec809a62620500e9 CO2.out.ezfio/electrons/elec_beta_num
9e9e0ea580616858707a7aa3e9c2fe1a CO2.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CO2.out.ezfio/ezfio/library
74130516e572e1b4ed29a152e98e6f57 CO2.out.ezfio/mo_basis/mo_coef.gz
8e27079666a534c9f26e28632f4b3eb7 CO2.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 CO2.out.ezfio/mo_basis/mo_label
0df380a5688eff361cd32b75e760d4ea CO2.out.ezfio/mo_basis/mo_occ.gz
dbfa2db8ba63032dcd87e1be200842e5 CO2.out.ezfio/mo_basis/mo_symmetry.gz
dfff84f22a976abd01f2a4ed2ae9d648 CO2.out.ezfio/mo_basis/mo_tot_num
91fc5bdb3e22fa84959cdbf80c20bcb1 CO2.out.ezfio/nuclei/nucl_charge.gz
dc4e24c2ee1694735146c4551a0744b9 CO2.out.ezfio/nuclei/nucl_coord.gz
fc7192d47339d0d2b75886b578c1b041 CO2.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CO2.out.ezfio/output/empty

20
data/inputs/COS.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
a9667f40a2a15612281320174b50061d COS.out.ezfio/ao_basis/ao_coef.gz
d853780f59333b1227f560dba86461aa COS.out.ezfio/ao_basis/ao_expo.gz
8b7365e219f889003c3b42b1a245f3c4 COS.out.ezfio/ao_basis/ao_nucl.gz
05c099f9ecff73ec414553f6a8dba5d5 COS.out.ezfio/ao_basis/ao_num
8ae9b444ea1d16ec55ae781783b395e3 COS.out.ezfio/ao_basis/ao_power.gz
bdf7edca9414a1a630a06bca8b295ee2 COS.out.ezfio/ao_basis/ao_prim_num.gz
8d835c17bb93dc4b67ed4ec1d7197ffa COS.out.ezfio/electrons/elec_alpha_num
8d835c17bb93dc4b67ed4ec1d7197ffa COS.out.ezfio/electrons/elec_beta_num
15de91fad5d928f39cb20038202edd5f COS.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf COS.out.ezfio/ezfio/library
8ec841f6a3b2b07dd8160b83c4303572 COS.out.ezfio/mo_basis/mo_coef.gz
748ec702f8c413db10039d52cb1e5158 COS.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 COS.out.ezfio/mo_basis/mo_label
875fac9d92984e5b6aa706ea1c0b0911 COS.out.ezfio/mo_basis/mo_occ.gz
b408e900670aacad0c81b951e31ecf75 COS.out.ezfio/mo_basis/mo_symmetry.gz
ec3db41d7f658e1d556bb5c2d3c8d44a COS.out.ezfio/mo_basis/mo_tot_num
e1e032e97824658e62c25f3416247579 COS.out.ezfio/nuclei/nucl_charge.gz
9fc5ce9fbe4da715d8c1891650d5ac49 COS.out.ezfio/nuclei/nucl_coord.gz
fc7192d47339d0d2b75886b578c1b041 COS.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b COS.out.ezfio/output/empty

20
data/inputs/CP.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
9bf4889cf2c80b3a372eddaf759d4a60 CP.out.ezfio/ao_basis/ao_coef.gz
21177abe975a043ae87f109b10d47ec3 CP.out.ezfio/ao_basis/ao_expo.gz
45a72489e43110d6ea3c843f85aa84bc CP.out.ezfio/ao_basis/ao_nucl.gz
3684cba18cb251696e3efbe2a411ff51 CP.out.ezfio/ao_basis/ao_num
81450dca17b01f89b9491eb80cb6ad36 CP.out.ezfio/ao_basis/ao_power.gz
134a8202189c3e9ef22324d84d6100a6 CP.out.ezfio/ao_basis/ao_prim_num.gz
86a89aacd3c5e8bdec809a62620500e9 CP.out.ezfio/electrons/elec_alpha_num
b5e150f8a5f428ced2b7812819cd43b0 CP.out.ezfio/electrons/elec_beta_num
67cb896265dd6349c31f78dd8c7dfe93 CP.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CP.out.ezfio/ezfio/library
73847e6da725a3de8fd4eb0e049f7db8 CP.out.ezfio/mo_basis/mo_coef.gz
5d6f8a49d4862934d021e7d315aaf8ed CP.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 CP.out.ezfio/mo_basis/mo_label
b285974b3fab1b1d37fd3ba844e1bdd5 CP.out.ezfio/mo_basis/mo_occ.gz
bb57c2b743e7b980805322559f2a1a71 CP.out.ezfio/mo_basis/mo_symmetry.gz
ec138cf55b9da2ea6b9d151433df2baf CP.out.ezfio/mo_basis/mo_tot_num
d29d1aaac84890105a80d5f8b1dd53a1 CP.out.ezfio/nuclei/nucl_charge.gz
b5034c1d087753cfcc7fe3de7915366c CP.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 CP.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CP.out.ezfio/output/empty

20
data/inputs/CS+.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
aa0af1380d3e5b12f6771304a6c7e307 CS+.out.ezfio/ao_basis/ao_coef.gz
4c50c49c1bab9f7dce08444a7ecc715b CS+.out.ezfio/ao_basis/ao_expo.gz
3d93b59f03bd272580759af50f59125d CS+.out.ezfio/ao_basis/ao_nucl.gz
3684cba18cb251696e3efbe2a411ff51 CS+.out.ezfio/ao_basis/ao_num
0b4c32e8ca7b28f05f7d699947d8b90f CS+.out.ezfio/ao_basis/ao_power.gz
11f082853fd0544fe704094148fd9d0c CS+.out.ezfio/ao_basis/ao_prim_num.gz
86a89aacd3c5e8bdec809a62620500e9 CS+.out.ezfio/electrons/elec_alpha_num
b5e150f8a5f428ced2b7812819cd43b0 CS+.out.ezfio/electrons/elec_beta_num
c909ef427321177226e346682b49b819 CS+.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CS+.out.ezfio/ezfio/library
d7461bdbffcbcfb1ec46aabd73f042c0 CS+.out.ezfio/mo_basis/mo_coef.gz
66ed5e9569c59d2115c469bbe03db715 CS+.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 CS+.out.ezfio/mo_basis/mo_label
4ca3580163939e814b1ba14d0bdf3103 CS+.out.ezfio/mo_basis/mo_occ.gz
02597dc6c0104246ab3bdef7bd9a7fbd CS+.out.ezfio/mo_basis/mo_symmetry.gz
ec138cf55b9da2ea6b9d151433df2baf CS+.out.ezfio/mo_basis/mo_tot_num
7133412724187e7bbd023e7f030e33a2 CS+.out.ezfio/nuclei/nucl_charge.gz
d5f65e9637cd871c415f12d48e176498 CS+.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 CS+.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CS+.out.ezfio/output/empty

20
data/inputs/CS.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
6163f8f2da0725be6a0eadbe9ffc1cfb CS.out.ezfio/ao_basis/ao_coef.gz
98da1bad146ebcab0d24e017404aff29 CS.out.ezfio/ao_basis/ao_expo.gz
0ae938893ef457ce7ebbf299e38120a4 CS.out.ezfio/ao_basis/ao_nucl.gz
3684cba18cb251696e3efbe2a411ff51 CS.out.ezfio/ao_basis/ao_num
ed71e9c26a157f7adee5a8dc13bf6b1a CS.out.ezfio/ao_basis/ao_power.gz
19aa4500262228ef78c58d8f5748a97b CS.out.ezfio/ao_basis/ao_prim_num.gz
86a89aacd3c5e8bdec809a62620500e9 CS.out.ezfio/electrons/elec_alpha_num
86a89aacd3c5e8bdec809a62620500e9 CS.out.ezfio/electrons/elec_beta_num
c909ef427321177226e346682b49b819 CS.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CS.out.ezfio/ezfio/library
0f028218420f619df153174ebb6a36d8 CS.out.ezfio/mo_basis/mo_coef.gz
d449c960de2dca7d52166d0943299437 CS.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 CS.out.ezfio/mo_basis/mo_label
cfcea20b2c62f27aa2f37884f2ec6af5 CS.out.ezfio/mo_basis/mo_occ.gz
aa6f94a7134738e9fb757dbacf8e874c CS.out.ezfio/mo_basis/mo_symmetry.gz
ec138cf55b9da2ea6b9d151433df2baf CS.out.ezfio/mo_basis/mo_tot_num
033bc5280642ea9471fe8b59888d4302 CS.out.ezfio/nuclei/nucl_charge.gz
2ed9d4b18012ee89ff0ff274e1e05140 CS.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 CS.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CS.out.ezfio/output/empty

20
data/inputs/CS2.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
03bb3da63f3c9c099a00aee12be74934 CS2.out.ezfio/ao_basis/ao_coef.gz
d24697f9c54c14a3c9fd847fb23b2197 CS2.out.ezfio/ao_basis/ao_expo.gz
4ef1e5e10e51c3ac414cbe86d5762bcf CS2.out.ezfio/ao_basis/ao_nucl.gz
c1e625c95fbf54fb8648fe87a1d5b013 CS2.out.ezfio/ao_basis/ao_num
d55d203e433e612d4051d7dd14a9a35d CS2.out.ezfio/ao_basis/ao_power.gz
942447e0cb599ed7060ef1811fe6ed60 CS2.out.ezfio/ao_basis/ao_prim_num.gz
a62103800a061f58b2b696f7c5119e54 CS2.out.ezfio/electrons/elec_alpha_num
a62103800a061f58b2b696f7c5119e54 CS2.out.ezfio/electrons/elec_beta_num
67cb896265dd6349c31f78dd8c7dfe93 CS2.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CS2.out.ezfio/ezfio/library
5705ff031b16f41e9c0e8e9c4f045a4d CS2.out.ezfio/mo_basis/mo_coef.gz
fd1ff59bfb9900b1fd2a32e58167c4f9 CS2.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 CS2.out.ezfio/mo_basis/mo_label
863847e1cadb1fd93ada3a41cefc31b2 CS2.out.ezfio/mo_basis/mo_occ.gz
ef5a205956bfbf92c15d5ec673d6d89a CS2.out.ezfio/mo_basis/mo_symmetry.gz
f5e60ae18b7c53706d84e2d455c3d355 CS2.out.ezfio/mo_basis/mo_tot_num
15c7759b71d5902c4232c433622d4558 CS2.out.ezfio/nuclei/nucl_charge.gz
6a0a40d4488448ec0165504c4f860e51 CS2.out.ezfio/nuclei/nucl_coord.gz
fc7192d47339d0d2b75886b578c1b041 CS2.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CS2.out.ezfio/output/empty

20
data/inputs/CSi.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
6789c5a52251daaf80f7c7c4aa172ca6 CSi.out.ezfio/ao_basis/ao_coef.gz
1597c9f44a4a73111cea719001c40bc5 CSi.out.ezfio/ao_basis/ao_expo.gz
edc3ba4844f2b2fbb653da94d4da7f2d CSi.out.ezfio/ao_basis/ao_nucl.gz
3684cba18cb251696e3efbe2a411ff51 CSi.out.ezfio/ao_basis/ao_num
0eabbec7b259b2b3ed709ea2097b544f CSi.out.ezfio/ao_basis/ao_power.gz
ba9efbb90e57f850fa86731e6a0d2a30 CSi.out.ezfio/ao_basis/ao_prim_num.gz
86a89aacd3c5e8bdec809a62620500e9 CSi.out.ezfio/electrons/elec_alpha_num
6ddd54f604d3a6c6e28eebd0b6e08ddc CSi.out.ezfio/electrons/elec_beta_num
c909ef427321177226e346682b49b819 CSi.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf CSi.out.ezfio/ezfio/library
3137d9224c5c0915239209293eb06260 CSi.out.ezfio/mo_basis/mo_coef.gz
ddf1f5fcb27cc26aae4814c66487c404 CSi.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 CSi.out.ezfio/mo_basis/mo_label
d0b477961ddb9e7675038eceab7f8437 CSi.out.ezfio/mo_basis/mo_occ.gz
f23f44d340d8bc6b49cdb3d4d690fb53 CSi.out.ezfio/mo_basis/mo_symmetry.gz
ec138cf55b9da2ea6b9d151433df2baf CSi.out.ezfio/mo_basis/mo_tot_num
0ecd80753db4347544e4e10fb8afce6e CSi.out.ezfio/nuclei/nucl_charge.gz
58360eb24e5c84af809b904812dd405b CSi.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 CSi.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b CSi.out.ezfio/output/empty

20
data/inputs/Cl+.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
ee29a6204fcaf56f2843433b241a9386 Cl+.out.ezfio/ao_basis/ao_coef.gz
26ffcf76d07e749aa70c9d3806d2c200 Cl+.out.ezfio/ao_basis/ao_expo.gz
f8ddbfa9163511688e0ba65eafa558be Cl+.out.ezfio/ao_basis/ao_nucl.gz
a62103800a061f58b2b696f7c5119e54 Cl+.out.ezfio/ao_basis/ao_num
3c4cd4412c5b4559ba6983e43d2bd1d8 Cl+.out.ezfio/ao_basis/ao_power.gz
4ad910f7fdc5dd2ce87512ad2576e1f2 Cl+.out.ezfio/ao_basis/ao_prim_num.gz
6ddd54f604d3a6c6e28eebd0b6e08ddc Cl+.out.ezfio/electrons/elec_alpha_num
4e94260b47ac90ce146cf693b6ea796f Cl+.out.ezfio/electrons/elec_beta_num
9cfe26b40d36fad9503b9ca5fdd72999 Cl+.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf Cl+.out.ezfio/ezfio/library
5b02b44ec070873317898d8b721e677e Cl+.out.ezfio/mo_basis/mo_coef.gz
2789658d5191637c09e0ae7f5785d404 Cl+.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 Cl+.out.ezfio/mo_basis/mo_label
cbaaed4eae76706f10c8c6ba9531d6fe Cl+.out.ezfio/mo_basis/mo_occ.gz
149aef4d277ad3539a09e07c55cf608d Cl+.out.ezfio/mo_basis/mo_symmetry.gz
dcb3ca24a097368c672b71dcd834777b Cl+.out.ezfio/mo_basis/mo_tot_num
5b6ec539e29f74cb39595b86cb9b01bd Cl+.out.ezfio/nuclei/nucl_charge.gz
381f7442e6b74b8abde0e6cbb6c73520 Cl+.out.ezfio/nuclei/nucl_coord.gz
765e1f05dd3fbab8c7ebefaf2f1813e4 Cl+.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b Cl+.out.ezfio/output/empty

20
data/inputs/Cl-.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
147bb3d6ff2c2d462c515de408f49f19 Cl-.out.ezfio/ao_basis/ao_coef.gz
4ff59f07f4bf4cfdfd3b33596a7e5b3b Cl-.out.ezfio/ao_basis/ao_expo.gz
75662f41fd1311a4a3aa7d0817906a6c Cl-.out.ezfio/ao_basis/ao_nucl.gz
a62103800a061f58b2b696f7c5119e54 Cl-.out.ezfio/ao_basis/ao_num
86e553065dad393d0213699bb14eaab6 Cl-.out.ezfio/ao_basis/ao_power.gz
a4aa1e8ef001ef0eecc2a130715660f3 Cl-.out.ezfio/ao_basis/ao_prim_num.gz
6ddd54f604d3a6c6e28eebd0b6e08ddc Cl-.out.ezfio/electrons/elec_alpha_num
6ddd54f604d3a6c6e28eebd0b6e08ddc Cl-.out.ezfio/electrons/elec_beta_num
ca9af3de3cb76d7b48c908e738360762 Cl-.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf Cl-.out.ezfio/ezfio/library
cd8f48744a0a8c43a9a6b7b9bf79d0ae Cl-.out.ezfio/mo_basis/mo_coef.gz
e08fb4665012940953cd3cb10f4bf8f2 Cl-.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 Cl-.out.ezfio/mo_basis/mo_label
9c4e97a9fa97eba21d8bd6530daa41e7 Cl-.out.ezfio/mo_basis/mo_occ.gz
a1611e77e46fba7e32bc822b063bfa01 Cl-.out.ezfio/mo_basis/mo_symmetry.gz
dcb3ca24a097368c672b71dcd834777b Cl-.out.ezfio/mo_basis/mo_tot_num
4d3979e0098ba3ef84c91c559c445c78 Cl-.out.ezfio/nuclei/nucl_charge.gz
dc5eea86c40bbcf67d97e8fa5d40d23a Cl-.out.ezfio/nuclei/nucl_coord.gz
765e1f05dd3fbab8c7ebefaf2f1813e4 Cl-.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b Cl-.out.ezfio/output/empty

20
data/inputs/Cl.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
7939fc0bfa4cbd2b55c97bcd22f0b4d4 Cl.out.ezfio/ao_basis/ao_coef.gz
d53624f6bd96c9257c4c7502a6e2de16 Cl.out.ezfio/ao_basis/ao_expo.gz
47f1cc893bb272c7d44706c769819c18 Cl.out.ezfio/ao_basis/ao_nucl.gz
a62103800a061f58b2b696f7c5119e54 Cl.out.ezfio/ao_basis/ao_num
e542bc467abb77caefc97546222f9b67 Cl.out.ezfio/ao_basis/ao_power.gz
e439edd3a474cf8112784b09eac0d60d Cl.out.ezfio/ao_basis/ao_prim_num.gz
6ddd54f604d3a6c6e28eebd0b6e08ddc Cl.out.ezfio/electrons/elec_alpha_num
6156a0908e61aaf7a450978fcd37322d Cl.out.ezfio/electrons/elec_beta_num
ca9af3de3cb76d7b48c908e738360762 Cl.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf Cl.out.ezfio/ezfio/library
c6d390fbc032cb8e74cd19174bebcf06 Cl.out.ezfio/mo_basis/mo_coef.gz
7f09ac9f65b93c071eec1b98068316b6 Cl.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 Cl.out.ezfio/mo_basis/mo_label
4405282b1f1cc842fc293b52ce0929b3 Cl.out.ezfio/mo_basis/mo_occ.gz
fda292b2167f06413a2ffb2d25a34700 Cl.out.ezfio/mo_basis/mo_symmetry.gz
dcb3ca24a097368c672b71dcd834777b Cl.out.ezfio/mo_basis/mo_tot_num
d4616b44b2433650e3d4a6763a0cf087 Cl.out.ezfio/nuclei/nucl_charge.gz
97eb4831f453b19cc15d8f97b8abea2e Cl.out.ezfio/nuclei/nucl_coord.gz
765e1f05dd3fbab8c7ebefaf2f1813e4 Cl.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b Cl.out.ezfio/output/empty

20
data/inputs/Cl2+.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
aa3dc64a5a37c9f27bc6ac3b13949594 Cl2+.out.ezfio/ao_basis/ao_coef.gz
2cd8002265487833de675bb73a2f925f Cl2+.out.ezfio/ao_basis/ao_expo.gz
522c2fd4cc7757b633b00abc085f77e5 Cl2+.out.ezfio/ao_basis/ao_nucl.gz
2d176e3fd2a2bc8ed352f827d87ded6b Cl2+.out.ezfio/ao_basis/ao_num
08644539fb8b53e46101e2e44c6ac7ac Cl2+.out.ezfio/ao_basis/ao_power.gz
e27c508e6e8db5efe3426c9a4d81434b Cl2+.out.ezfio/ao_basis/ao_prim_num.gz
3354314be84298bd0a185fee97c87c44 Cl2+.out.ezfio/electrons/elec_alpha_num
1d091156436c0650218681b0f30a8754 Cl2+.out.ezfio/electrons/elec_beta_num
70a7fa9183b99e4fb6fff0ab3cba26f0 Cl2+.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf Cl2+.out.ezfio/ezfio/library
728cd3dac98c5fe2b309b4a5ae164a59 Cl2+.out.ezfio/mo_basis/mo_coef.gz
7d2112eb8c4c4a29b375c2bfedbf4baa Cl2+.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 Cl2+.out.ezfio/mo_basis/mo_label
d40b07b7d078c1478afe69a67070d817 Cl2+.out.ezfio/mo_basis/mo_occ.gz
afa11d3f898df8cc1803194136fe45ce Cl2+.out.ezfio/mo_basis/mo_symmetry.gz
3e24e6b8b60686ba6ce4cb31d06228c3 Cl2+.out.ezfio/mo_basis/mo_tot_num
1302d0f2361d1bcc79d0d1d10e25dae2 Cl2+.out.ezfio/nuclei/nucl_charge.gz
d60c3bc79b0b2b7ed5daa78f840d94a1 Cl2+.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 Cl2+.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b Cl2+.out.ezfio/output/empty

20
data/inputs/Cl2-.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
d8b976a6d3ff2d411622b018d83f9141 Cl2-.out.ezfio/ao_basis/ao_coef.gz
aef2c30efbbe783202dbf2e7df8b1a55 Cl2-.out.ezfio/ao_basis/ao_expo.gz
a964f2f70a66a7ce257cef9300fa88f8 Cl2-.out.ezfio/ao_basis/ao_nucl.gz
2d176e3fd2a2bc8ed352f827d87ded6b Cl2-.out.ezfio/ao_basis/ao_num
925983d5a80add06fac792cf8704e3c2 Cl2-.out.ezfio/ao_basis/ao_power.gz
7f3750bc40cc2be6a553b44866494a20 Cl2-.out.ezfio/ao_basis/ao_prim_num.gz
dcb3ca24a097368c672b71dcd834777b Cl2-.out.ezfio/electrons/elec_alpha_num
3354314be84298bd0a185fee97c87c44 Cl2-.out.ezfio/electrons/elec_beta_num
70a7fa9183b99e4fb6fff0ab3cba26f0 Cl2-.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf Cl2-.out.ezfio/ezfio/library
584083b3093b10423f34eea5a111283c Cl2-.out.ezfio/mo_basis/mo_coef.gz
ebd65db188c0b99a233ffe23c81581a0 Cl2-.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 Cl2-.out.ezfio/mo_basis/mo_label
6b47349049aa9635de71e8f6c5741b4b Cl2-.out.ezfio/mo_basis/mo_occ.gz
8c6535555098aab3364f486a64fa0708 Cl2-.out.ezfio/mo_basis/mo_symmetry.gz
3e24e6b8b60686ba6ce4cb31d06228c3 Cl2-.out.ezfio/mo_basis/mo_tot_num
9729919a825372372be1e15d106e5160 Cl2-.out.ezfio/nuclei/nucl_charge.gz
da7a01ac5643d714f8a45e29dfe5af41 Cl2-.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 Cl2-.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b Cl2-.out.ezfio/output/empty

20
data/inputs/Cl2.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
4a5b417f22033197907c876a0035182d Cl2.out.ezfio/ao_basis/ao_coef.gz
528dd4467e7d3b63e28106cff6ee8f0d Cl2.out.ezfio/ao_basis/ao_expo.gz
4e71e3f76bbcf5565328724506055b8e Cl2.out.ezfio/ao_basis/ao_nucl.gz
2d176e3fd2a2bc8ed352f827d87ded6b Cl2.out.ezfio/ao_basis/ao_num
3b4628bb29de59bfad6b1fe76b89da30 Cl2.out.ezfio/ao_basis/ao_power.gz
11797188ac27cb8dd2d8dfde3526266e Cl2.out.ezfio/ao_basis/ao_prim_num.gz
3354314be84298bd0a185fee97c87c44 Cl2.out.ezfio/electrons/elec_alpha_num
3354314be84298bd0a185fee97c87c44 Cl2.out.ezfio/electrons/elec_beta_num
70a7fa9183b99e4fb6fff0ab3cba26f0 Cl2.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf Cl2.out.ezfio/ezfio/library
1e3356b5714aabb4d58702b5df808f88 Cl2.out.ezfio/mo_basis/mo_coef.gz
ebad5e8389487144ef926b6ff575a648 Cl2.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 Cl2.out.ezfio/mo_basis/mo_label
8b13d322c4cdbb1eec8dbb9e77c57fb2 Cl2.out.ezfio/mo_basis/mo_occ.gz
f08199985c9dafec6ffa267093bc9b4e Cl2.out.ezfio/mo_basis/mo_symmetry.gz
3e24e6b8b60686ba6ce4cb31d06228c3 Cl2.out.ezfio/mo_basis/mo_tot_num
0a9bb702a3b996e7fb66a003e30240c5 Cl2.out.ezfio/nuclei/nucl_charge.gz
e38977b3ff3970912f6a38851dc83a82 Cl2.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 Cl2.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b Cl2.out.ezfio/output/empty

20
data/inputs/ClH+.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
677fe8b6dd938cd4675ec8c7febf197d ClH+.out.ezfio/ao_basis/ao_coef.gz
ce995b95d713868e5ba9738ef625b795 ClH+.out.ezfio/ao_basis/ao_expo.gz
ad4e298daf534ce7f1e799118a9ea7fb ClH+.out.ezfio/ao_basis/ao_nucl.gz
451c4341193e051f7bce31747b7857ac ClH+.out.ezfio/ao_basis/ao_num
d5dc537c9cfb9474b824257b3fe26714 ClH+.out.ezfio/ao_basis/ao_power.gz
82916b32113924743e38057a86a653ee ClH+.out.ezfio/ao_basis/ao_prim_num.gz
6ddd54f604d3a6c6e28eebd0b6e08ddc ClH+.out.ezfio/electrons/elec_alpha_num
6156a0908e61aaf7a450978fcd37322d ClH+.out.ezfio/electrons/elec_beta_num
ca9af3de3cb76d7b48c908e738360762 ClH+.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf ClH+.out.ezfio/ezfio/library
7bfa01d6e006f2d95977203e2751fe31 ClH+.out.ezfio/mo_basis/mo_coef.gz
2333fd8c2b32c025ab93bf8e4e56f325 ClH+.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 ClH+.out.ezfio/mo_basis/mo_label
f92f868be21633986dae50f1ec6b39af ClH+.out.ezfio/mo_basis/mo_occ.gz
545be3190b2fadbaff679f11d1181b95 ClH+.out.ezfio/mo_basis/mo_symmetry.gz
5a0298ddca255c2e8163c30b11fd397e ClH+.out.ezfio/mo_basis/mo_tot_num
ac39c1d2fba17548dfbbd3844387cf9f ClH+.out.ezfio/nuclei/nucl_charge.gz
e5fa983e301ff9b8aa66d175fb13009a ClH+.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 ClH+.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b ClH+.out.ezfio/output/empty

20
data/inputs/ClH.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
c168f145b19612803794331063bdd53e ClH.out.ezfio/ao_basis/ao_coef.gz
be5b75526ed6b61d46638c96c6e6600f ClH.out.ezfio/ao_basis/ao_expo.gz
8c08643fe4e58e9edd2d893040c77194 ClH.out.ezfio/ao_basis/ao_nucl.gz
451c4341193e051f7bce31747b7857ac ClH.out.ezfio/ao_basis/ao_num
268ad195f5334d0e03f57a873f5a983f ClH.out.ezfio/ao_basis/ao_power.gz
8f14678b786ac9092326e04d655706d8 ClH.out.ezfio/ao_basis/ao_prim_num.gz
6ddd54f604d3a6c6e28eebd0b6e08ddc ClH.out.ezfio/electrons/elec_alpha_num
6ddd54f604d3a6c6e28eebd0b6e08ddc ClH.out.ezfio/electrons/elec_beta_num
ca9af3de3cb76d7b48c908e738360762 ClH.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf ClH.out.ezfio/ezfio/library
ccad79c1eddf106fb1c70549779b0f67 ClH.out.ezfio/mo_basis/mo_coef.gz
3ec7feefa608f9f02689a901d1edd2a4 ClH.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 ClH.out.ezfio/mo_basis/mo_label
a562bfd4f5bd387a090080752c21d7c7 ClH.out.ezfio/mo_basis/mo_occ.gz
d24fc0926d025c238f4c0a22ae40fdbc ClH.out.ezfio/mo_basis/mo_symmetry.gz
5a0298ddca255c2e8163c30b11fd397e ClH.out.ezfio/mo_basis/mo_tot_num
e1d5e6e46bab7f164784542264a23d67 ClH.out.ezfio/nuclei/nucl_charge.gz
ea9f1796b454f0fa1a8ac23042ec48f1 ClH.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 ClH.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b ClH.out.ezfio/output/empty

20
data/inputs/ClH2+.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
83862a7e1bfbb244b3e6bdcfbc4c0524 ClH2+.out.ezfio/ao_basis/ao_coef.gz
0199072de581f236291eda8f28da9d83 ClH2+.out.ezfio/ao_basis/ao_expo.gz
354d925e3696e184988a4a2fe858f4da ClH2+.out.ezfio/ao_basis/ao_nucl.gz
4060e3d8c144f496022427a2c22aeb85 ClH2+.out.ezfio/ao_basis/ao_num
b61278e1170d66d5b6351b47762a8277 ClH2+.out.ezfio/ao_basis/ao_power.gz
fe05b4fdeaa98f8470b54f0d82b2b64d ClH2+.out.ezfio/ao_basis/ao_prim_num.gz
6ddd54f604d3a6c6e28eebd0b6e08ddc ClH2+.out.ezfio/electrons/elec_alpha_num
6ddd54f604d3a6c6e28eebd0b6e08ddc ClH2+.out.ezfio/electrons/elec_beta_num
ca9af3de3cb76d7b48c908e738360762 ClH2+.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf ClH2+.out.ezfio/ezfio/library
0912f0c05ba87689bbef64a8612f0268 ClH2+.out.ezfio/mo_basis/mo_coef.gz
b6968f0704ac130182601afcc96e586f ClH2+.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 ClH2+.out.ezfio/mo_basis/mo_label
9e9ef5ca397442b32b570893f5c3c66a ClH2+.out.ezfio/mo_basis/mo_occ.gz
ebb56d57667f78dc4a143d4f4ed6e40a ClH2+.out.ezfio/mo_basis/mo_symmetry.gz
86ab60aaf6bd682019491d338a44e5f2 ClH2+.out.ezfio/mo_basis/mo_tot_num
f0d0cce4fb987caa16b7a1ca788be549 ClH2+.out.ezfio/nuclei/nucl_charge.gz
8cd818e9fb8f5e48247cc9df8e6c8fa1 ClH2+.out.ezfio/nuclei/nucl_coord.gz
fc7192d47339d0d2b75886b578c1b041 ClH2+.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b ClH2+.out.ezfio/output/empty

20
data/inputs/ClS.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
559a40eff59fbf8d8b46346067107855 ClS.out.ezfio/ao_basis/ao_coef.gz
fa428e5f9914324535a8d788d015c21e ClS.out.ezfio/ao_basis/ao_expo.gz
8976f0c0d929ba32dd14299ed1523250 ClS.out.ezfio/ao_basis/ao_nucl.gz
2d176e3fd2a2bc8ed352f827d87ded6b ClS.out.ezfio/ao_basis/ao_num
33eb080c691e54e631581d346138679c ClS.out.ezfio/ao_basis/ao_power.gz
aab4f390af24445ede356c8f8e7d1580 ClS.out.ezfio/ao_basis/ao_prim_num.gz
3354314be84298bd0a185fee97c87c44 ClS.out.ezfio/electrons/elec_alpha_num
1d091156436c0650218681b0f30a8754 ClS.out.ezfio/electrons/elec_beta_num
9cfe26b40d36fad9503b9ca5fdd72999 ClS.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf ClS.out.ezfio/ezfio/library
b687b1f058b616402bb105199871ce4e ClS.out.ezfio/mo_basis/mo_coef.gz
04f66775f15fbb0354f6126ebefda17a ClS.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 ClS.out.ezfio/mo_basis/mo_label
b1055caf91210bee65907d3166d17eee ClS.out.ezfio/mo_basis/mo_occ.gz
bac735dbd64ea691907323ddf7cc1099 ClS.out.ezfio/mo_basis/mo_symmetry.gz
3e24e6b8b60686ba6ce4cb31d06228c3 ClS.out.ezfio/mo_basis/mo_tot_num
5f53a3b7f8bd9e2225ea5c22886eb24b ClS.out.ezfio/nuclei/nucl_charge.gz
ed0fc411d9b965a6604909a0f2489f1a ClS.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 ClS.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b ClS.out.ezfio/output/empty

20
data/inputs/ClSiH3.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
ec00f3bcc4856ae8ce0ba79fc9b4277b ClSiH3.out.ezfio/ao_basis/ao_coef.gz
7159343359dcb3ab1410af58065fc956 ClSiH3.out.ezfio/ao_basis/ao_expo.gz
e16644b5a5bf52db60273e9422b97929 ClSiH3.out.ezfio/ao_basis/ao_nucl.gz
c1e625c95fbf54fb8648fe87a1d5b013 ClSiH3.out.ezfio/ao_basis/ao_num
b159037611afbbed0425a29cb3db92af ClSiH3.out.ezfio/ao_basis/ao_power.gz
75a4ee17977793db68a774bec4179c2c ClSiH3.out.ezfio/ao_basis/ao_prim_num.gz
3354314be84298bd0a185fee97c87c44 ClSiH3.out.ezfio/electrons/elec_alpha_num
3354314be84298bd0a185fee97c87c44 ClSiH3.out.ezfio/electrons/elec_beta_num
9cfe26b40d36fad9503b9ca5fdd72999 ClSiH3.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf ClSiH3.out.ezfio/ezfio/library
3d1dda62ac03c5992712cc6ad4cc1ba4 ClSiH3.out.ezfio/mo_basis/mo_coef.gz
1c57deba9f9cb50cc1c6e853e2668e78 ClSiH3.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 ClSiH3.out.ezfio/mo_basis/mo_label
d9ca7b3fe208eda49f63cc56c00e27a2 ClSiH3.out.ezfio/mo_basis/mo_occ.gz
23cf0fc404eac40165d27b506d90b576 ClSiH3.out.ezfio/mo_basis/mo_symmetry.gz
14a51cbfc124566571220411dddc7e81 ClSiH3.out.ezfio/mo_basis/mo_tot_num
656e3d58af7de628546614545360084b ClSiH3.out.ezfio/nuclei/nucl_charge.gz
7d9f998c5d3f60a4c1473b6a527da03d ClSiH3.out.ezfio/nuclei/nucl_coord.gz
d765d41448fe246fcc034b66e2768837 ClSiH3.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b ClSiH3.out.ezfio/output/empty

20
data/inputs/F+.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
5454afe7f75340fd8db764f196a9bbf0 F+.out.ezfio/ao_basis/ao_coef.gz
c1455e9a9c3c308244c5be21e9c2635e F+.out.ezfio/ao_basis/ao_expo.gz
9fa3aff102fb0d9acf1a64ed2625878f F+.out.ezfio/ao_basis/ao_nucl.gz
8d835c17bb93dc4b67ed4ec1d7197ffa F+.out.ezfio/ao_basis/ao_num
95118810dced751cfed91a98c9d7617b F+.out.ezfio/ao_basis/ao_power.gz
c9f02967d46325dea8e5ca121c829b8f F+.out.ezfio/ao_basis/ao_prim_num.gz
d765d41448fe246fcc034b66e2768837 F+.out.ezfio/electrons/elec_alpha_num
fc7192d47339d0d2b75886b578c1b041 F+.out.ezfio/electrons/elec_beta_num
24ac35ce2a021a12785553fccb14bee4 F+.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf F+.out.ezfio/ezfio/library
8cdd5ec3f1b8d5538a67d542c37a503b F+.out.ezfio/mo_basis/mo_coef.gz
f458cdb4f3d186595c188100cecc4ade F+.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 F+.out.ezfio/mo_basis/mo_label
974a8a4ad9c60748952e58f8fb1d1dd0 F+.out.ezfio/mo_basis/mo_occ.gz
dfe5cdb104c2aab935e8f67cdbc9cacb F+.out.ezfio/mo_basis/mo_symmetry.gz
757c9248d7ddb2778d3df1b1ba938d15 F+.out.ezfio/mo_basis/mo_tot_num
c04aeb35e968cd99cf09fa2964b9a2e9 F+.out.ezfio/nuclei/nucl_charge.gz
e52436b214bef258eacd17ad83c0e2d8 F+.out.ezfio/nuclei/nucl_coord.gz
765e1f05dd3fbab8c7ebefaf2f1813e4 F+.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b F+.out.ezfio/output/empty

20
data/inputs/F-.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
3f907d22572f1377ce84c59a0e207d9c F-.out.ezfio/ao_basis/ao_coef.gz
3d2e6924b64e627fa9ec5450a45f9206 F-.out.ezfio/ao_basis/ao_expo.gz
d7a41f96c0889c517393db0b3750eef1 F-.out.ezfio/ao_basis/ao_nucl.gz
8d835c17bb93dc4b67ed4ec1d7197ffa F-.out.ezfio/ao_basis/ao_num
a75d812f299859390f8cfd47266701b9 F-.out.ezfio/ao_basis/ao_power.gz
8aef44fad2526fb5e41396245135048f F-.out.ezfio/ao_basis/ao_prim_num.gz
d765d41448fe246fcc034b66e2768837 F-.out.ezfio/electrons/elec_alpha_num
d765d41448fe246fcc034b66e2768837 F-.out.ezfio/electrons/elec_beta_num
3b40432f1c251fae1f65d7541645008c F-.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf F-.out.ezfio/ezfio/library
eefd12d06be553c893f37c9d006e7ef1 F-.out.ezfio/mo_basis/mo_coef.gz
f2d440551e642d1836f64bcfacc1328c F-.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 F-.out.ezfio/mo_basis/mo_label
5bdc2f0c5235adee6967e42d1d0331f7 F-.out.ezfio/mo_basis/mo_occ.gz
c877490b683bf45f915f6c36de183a75 F-.out.ezfio/mo_basis/mo_symmetry.gz
757c9248d7ddb2778d3df1b1ba938d15 F-.out.ezfio/mo_basis/mo_tot_num
5354fd9ea5d67609e3e53ab37b45bb78 F-.out.ezfio/nuclei/nucl_charge.gz
601f9f79d2a4ba9477b82e14c3f5f2c5 F-.out.ezfio/nuclei/nucl_coord.gz
765e1f05dd3fbab8c7ebefaf2f1813e4 F-.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b F-.out.ezfio/output/empty

20
data/inputs/F.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
5ac1066fd4747d7473898d8d38dcabf8 F.out.ezfio/ao_basis/ao_coef.gz
18b09f2141c3f6a7be6cc50f05219554 F.out.ezfio/ao_basis/ao_expo.gz
a71e0eac8a546b55fad73aa78bc48c8f F.out.ezfio/ao_basis/ao_nucl.gz
8d835c17bb93dc4b67ed4ec1d7197ffa F.out.ezfio/ao_basis/ao_num
f1f3e9be1fe46fe34ca1eb18752f8467 F.out.ezfio/ao_basis/ao_power.gz
1a73b2e5f8a614395d53e3d065bce656 F.out.ezfio/ao_basis/ao_prim_num.gz
d765d41448fe246fcc034b66e2768837 F.out.ezfio/electrons/elec_alpha_num
a5ae057cdae95f3930403204a9c9cbe2 F.out.ezfio/electrons/elec_beta_num
24ac35ce2a021a12785553fccb14bee4 F.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf F.out.ezfio/ezfio/library
0ca0ed66ff7ef3424ce96a324324bf0b F.out.ezfio/mo_basis/mo_coef.gz
660e841209ef2f05eb8c6e350eda6f56 F.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 F.out.ezfio/mo_basis/mo_label
ef4a4d0a3b79f0dc176ff485d13541b0 F.out.ezfio/mo_basis/mo_occ.gz
48c86f044ece1d4cf9c90e17a15b9631 F.out.ezfio/mo_basis/mo_symmetry.gz
757c9248d7ddb2778d3df1b1ba938d15 F.out.ezfio/mo_basis/mo_tot_num
3c9d14b51ed1f43b8aea93de3fe79f75 F.out.ezfio/nuclei/nucl_charge.gz
6723dd9a5d3766fb5f9bb89d7ef1f9ae F.out.ezfio/nuclei/nucl_coord.gz
765e1f05dd3fbab8c7ebefaf2f1813e4 F.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b F.out.ezfio/output/empty

20
data/inputs/F2.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
24cf83bb02dbd23fd5e93b1497365e71 F2.out.ezfio/ao_basis/ao_coef.gz
2b4138e698b07059006076111a3a09d8 F2.out.ezfio/ao_basis/ao_expo.gz
53374370b52047a65a5c8557c4968304 F2.out.ezfio/ao_basis/ao_nucl.gz
c9d2e4f9d10db875d4396ee02bce67cb F2.out.ezfio/ao_basis/ao_num
a4e188d1a09fc2ec17cefa6b4d7cfb6e F2.out.ezfio/ao_basis/ao_power.gz
15b08ece8a92d633f64eb9abb854abd0 F2.out.ezfio/ao_basis/ao_prim_num.gz
6ddd54f604d3a6c6e28eebd0b6e08ddc F2.out.ezfio/electrons/elec_alpha_num
6ddd54f604d3a6c6e28eebd0b6e08ddc F2.out.ezfio/electrons/elec_beta_num
c909ef427321177226e346682b49b819 F2.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf F2.out.ezfio/ezfio/library
5e48868e8eab0c7ad114c20b51e30621 F2.out.ezfio/mo_basis/mo_coef.gz
a3a69822d54b679011ea118e9b1a4af7 F2.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 F2.out.ezfio/mo_basis/mo_label
1a7df42b6c357f3ad0ac2c866a09f7a8 F2.out.ezfio/mo_basis/mo_occ.gz
ccd8baaff652117afffd994a9e2fe6d1 F2.out.ezfio/mo_basis/mo_symmetry.gz
86ab60aaf6bd682019491d338a44e5f2 F2.out.ezfio/mo_basis/mo_tot_num
2bde66a7dcb421f2ac9655123dfba6f3 F2.out.ezfio/nuclei/nucl_charge.gz
1581bbfc7ddf8612b28bc16090dd6d39 F2.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 F2.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b F2.out.ezfio/output/empty

20
data/inputs/FAl.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
40e030435bff12730723f42889e9d65e FAl.out.ezfio/ao_basis/ao_coef.gz
0ff989bd62a5d367f3c35ac3994c3b9c FAl.out.ezfio/ao_basis/ao_expo.gz
99ba6b50572a0acc53280e14f2deb081 FAl.out.ezfio/ao_basis/ao_nucl.gz
3684cba18cb251696e3efbe2a411ff51 FAl.out.ezfio/ao_basis/ao_num
11e3e18433c63e390e23982a9bcaaf20 FAl.out.ezfio/ao_basis/ao_power.gz
3e176045c5da7224cc91da1854ab854d FAl.out.ezfio/ao_basis/ao_prim_num.gz
86a89aacd3c5e8bdec809a62620500e9 FAl.out.ezfio/electrons/elec_alpha_num
86a89aacd3c5e8bdec809a62620500e9 FAl.out.ezfio/electrons/elec_beta_num
0098cf5884ef6703ee0845e72ff16099 FAl.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf FAl.out.ezfio/ezfio/library
966b44343d3b953709995dcd0057eb58 FAl.out.ezfio/mo_basis/mo_coef.gz
07c15a73cba3693e271199f74013902d FAl.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 FAl.out.ezfio/mo_basis/mo_label
64ab851b2b1e9474aad5ec6ecda94fb3 FAl.out.ezfio/mo_basis/mo_occ.gz
e3116a0c102a99ee8f7344352d5b1034 FAl.out.ezfio/mo_basis/mo_symmetry.gz
ec138cf55b9da2ea6b9d151433df2baf FAl.out.ezfio/mo_basis/mo_tot_num
af8a2073d2c4d04089d126505f124ff7 FAl.out.ezfio/nuclei/nucl_charge.gz
0b44f4a2b97351526d4d24ef3a6c643f FAl.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 FAl.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b FAl.out.ezfio/output/empty

20
data/inputs/FCl+.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
d3a6edec1cf0c7beed0786c62d183495 FCl+.out.ezfio/ao_basis/ao_coef.gz
ca0a430954fa0e5ccef8283eb65ba766 FCl+.out.ezfio/ao_basis/ao_expo.gz
fc8b7d6f213404aeced01cce14a165de FCl+.out.ezfio/ao_basis/ao_nucl.gz
3684cba18cb251696e3efbe2a411ff51 FCl+.out.ezfio/ao_basis/ao_num
36ed8bfcc710c3e91992f376ff7766ef FCl+.out.ezfio/ao_basis/ao_power.gz
296b54d9d5aeaf537c1ff7ae64907f9c FCl+.out.ezfio/ao_basis/ao_prim_num.gz
5f49c8752062f65b95efea0b53c8dcba FCl+.out.ezfio/electrons/elec_alpha_num
8d6827f8fa944d207bb6ef46c5619939 FCl+.out.ezfio/electrons/elec_beta_num
0098cf5884ef6703ee0845e72ff16099 FCl+.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf FCl+.out.ezfio/ezfio/library
eda164c655e528800c9954e4767bfac8 FCl+.out.ezfio/mo_basis/mo_coef.gz
1dad186c963149b7f024586e9db6e4e4 FCl+.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 FCl+.out.ezfio/mo_basis/mo_label
cb0fa4aed4bae0771c90f170e87307db FCl+.out.ezfio/mo_basis/mo_occ.gz
bdbab9f7b06db937ecc8a12696674450 FCl+.out.ezfio/mo_basis/mo_symmetry.gz
ec138cf55b9da2ea6b9d151433df2baf FCl+.out.ezfio/mo_basis/mo_tot_num
ea376673035567c24aede8e162ab1137 FCl+.out.ezfio/nuclei/nucl_charge.gz
483773a49d2f759794bdcceb98647aa9 FCl+.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 FCl+.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b FCl+.out.ezfio/output/empty

20
data/inputs/FCl.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
6da6d865728b257aae4e6dbef6600270 FCl.out.ezfio/ao_basis/ao_coef.gz
3af9bf0de95e263aeb2c4dcc43851bb6 FCl.out.ezfio/ao_basis/ao_expo.gz
faac71bbe16278072505958cfb84f724 FCl.out.ezfio/ao_basis/ao_nucl.gz
3684cba18cb251696e3efbe2a411ff51 FCl.out.ezfio/ao_basis/ao_num
2bf7621a5c1acdf4b9ac2d1097d699ce FCl.out.ezfio/ao_basis/ao_power.gz
f79635bbc3401e97d27a7a6266f181ee FCl.out.ezfio/ao_basis/ao_prim_num.gz
5f49c8752062f65b95efea0b53c8dcba FCl.out.ezfio/electrons/elec_alpha_num
5f49c8752062f65b95efea0b53c8dcba FCl.out.ezfio/electrons/elec_beta_num
0098cf5884ef6703ee0845e72ff16099 FCl.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf FCl.out.ezfio/ezfio/library
3850307a196bbb523f24c063bd3cfcc3 FCl.out.ezfio/mo_basis/mo_coef.gz
3fcd50bc2667af0a6f8e421e05be2c8e FCl.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 FCl.out.ezfio/mo_basis/mo_label
ab4dfcc2758962423c6568a079bb63f6 FCl.out.ezfio/mo_basis/mo_occ.gz
4db0fcea4f7b4d309989c22e13ade4fb FCl.out.ezfio/mo_basis/mo_symmetry.gz
ec138cf55b9da2ea6b9d151433df2baf FCl.out.ezfio/mo_basis/mo_tot_num
09f3931f604e66d52af8a31a7a5433ec FCl.out.ezfio/nuclei/nucl_charge.gz
6bfe775cabf50a1544a2444da01f8f22 FCl.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 FCl.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b FCl.out.ezfio/output/empty

20
data/inputs/FH+.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
f247e4f3eff2e649a64092537b8b9f66 FH+.out.ezfio/ao_basis/ao_coef.gz
59c8881993ff4e56a75259904b58acb2 FH+.out.ezfio/ao_basis/ao_expo.gz
6e8e10ffa77267cfaba325cb741074ab FH+.out.ezfio/ao_basis/ao_nucl.gz
1d3287b26b02daefbb941c9d6940348e FH+.out.ezfio/ao_basis/ao_num
aff1dac340a4d4e8b635b4a6443c741e FH+.out.ezfio/ao_basis/ao_power.gz
390d424ff161768eadecab01fc0edb4e FH+.out.ezfio/ao_basis/ao_prim_num.gz
d765d41448fe246fcc034b66e2768837 FH+.out.ezfio/electrons/elec_alpha_num
a5ae057cdae95f3930403204a9c9cbe2 FH+.out.ezfio/electrons/elec_beta_num
3b40432f1c251fae1f65d7541645008c FH+.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf FH+.out.ezfio/ezfio/library
1f79b2497555716c791e1617929eeedb FH+.out.ezfio/mo_basis/mo_coef.gz
8b00469ebbca1abbe2f03e6f187689c8 FH+.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 FH+.out.ezfio/mo_basis/mo_label
15f6499cae96c02f78feda5e7add1451 FH+.out.ezfio/mo_basis/mo_occ.gz
38af7b529310e7d21b611af90c3f3602 FH+.out.ezfio/mo_basis/mo_symmetry.gz
a62103800a061f58b2b696f7c5119e54 FH+.out.ezfio/mo_basis/mo_tot_num
78756cebba4d52949a90ade5512410e7 FH+.out.ezfio/nuclei/nucl_charge.gz
356f1876ea99384d0a300b76fa67b9f3 FH+.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 FH+.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b FH+.out.ezfio/output/empty

20
data/inputs/FH.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
960ac837029e038e7c86ca6e64afe1c5 FH.out.ezfio/ao_basis/ao_coef.gz
538dc2a1973a3bc74c0d80b15abb31fc FH.out.ezfio/ao_basis/ao_expo.gz
7dd74c473c66cdbf7aab82009a2727d0 FH.out.ezfio/ao_basis/ao_nucl.gz
1d3287b26b02daefbb941c9d6940348e FH.out.ezfio/ao_basis/ao_num
6307eb6040ac7e2449bdee68e28fad2f FH.out.ezfio/ao_basis/ao_power.gz
15995d8e0b2230e42775d1e1c187ed9b FH.out.ezfio/ao_basis/ao_prim_num.gz
d765d41448fe246fcc034b66e2768837 FH.out.ezfio/electrons/elec_alpha_num
d765d41448fe246fcc034b66e2768837 FH.out.ezfio/electrons/elec_beta_num
0098cf5884ef6703ee0845e72ff16099 FH.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf FH.out.ezfio/ezfio/library
b6f83ddb09d5d608182e296537305bff FH.out.ezfio/mo_basis/mo_coef.gz
9fcd16beceeb0a3e956b0ca7b74d23c0 FH.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 FH.out.ezfio/mo_basis/mo_label
a7b556eb35fcf883c34d1d9fd8e3c4d6 FH.out.ezfio/mo_basis/mo_occ.gz
a98948a865f51258c2ef9fa42a9f3b19 FH.out.ezfio/mo_basis/mo_symmetry.gz
a62103800a061f58b2b696f7c5119e54 FH.out.ezfio/mo_basis/mo_tot_num
005621111f66126415ac72ab4c834534 FH.out.ezfio/nuclei/nucl_charge.gz
3feecfebad308f162000b55cbb269fa4 FH.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 FH.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b FH.out.ezfio/output/empty

20
data/inputs/FMg.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
f0210202d595031d6da257bc8ff82f74 FMg.out.ezfio/ao_basis/ao_coef.gz
df728aa47268111200265d3a8cc366f1 FMg.out.ezfio/ao_basis/ao_expo.gz
dd91b97d3c6a51406c35dd43be14638c FMg.out.ezfio/ao_basis/ao_nucl.gz
3684cba18cb251696e3efbe2a411ff51 FMg.out.ezfio/ao_basis/ao_num
d8376d38f4d6ca6cc3336812e54b9d63 FMg.out.ezfio/ao_basis/ao_power.gz
adfe7c1322d9eefabd212103001eb743 FMg.out.ezfio/ao_basis/ao_prim_num.gz
86a89aacd3c5e8bdec809a62620500e9 FMg.out.ezfio/electrons/elec_alpha_num
b5e150f8a5f428ced2b7812819cd43b0 FMg.out.ezfio/electrons/elec_beta_num
3b40432f1c251fae1f65d7541645008c FMg.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf FMg.out.ezfio/ezfio/library
4d1afa6e5e3610b78adc6948b7ceaac2 FMg.out.ezfio/mo_basis/mo_coef.gz
2acbe743f9596c7159b9178cb06bcf50 FMg.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 FMg.out.ezfio/mo_basis/mo_label
817e4577d4fa9a1d5fb633b27cb0dcf3 FMg.out.ezfio/mo_basis/mo_occ.gz
5b5fd24a7088ba2ef25411f3858f4958 FMg.out.ezfio/mo_basis/mo_symmetry.gz
ec138cf55b9da2ea6b9d151433df2baf FMg.out.ezfio/mo_basis/mo_tot_num
c086c8c906fb5e1f3676e77ed21ab1d2 FMg.out.ezfio/nuclei/nucl_charge.gz
f2da3fe2f74abb9faed7f4109768606c FMg.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 FMg.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b FMg.out.ezfio/output/empty

20
data/inputs/FNa.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
cce0b9690bba806046924172845a34c1 FNa.out.ezfio/ao_basis/ao_coef.gz
ad495751634770b2bb9af90e6a8e0e2d FNa.out.ezfio/ao_basis/ao_expo.gz
1eba68bc169f264bbaeb88c0fcc34bfa FNa.out.ezfio/ao_basis/ao_nucl.gz
3684cba18cb251696e3efbe2a411ff51 FNa.out.ezfio/ao_basis/ao_num
9eb1bd22e7e780c95b7afac0ecd69cea FNa.out.ezfio/ao_basis/ao_power.gz
5d3e876c94b8505bf1deca511d5b7f88 FNa.out.ezfio/ao_basis/ao_prim_num.gz
b5e150f8a5f428ced2b7812819cd43b0 FNa.out.ezfio/electrons/elec_alpha_num
b5e150f8a5f428ced2b7812819cd43b0 FNa.out.ezfio/electrons/elec_beta_num
3b40432f1c251fae1f65d7541645008c FNa.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf FNa.out.ezfio/ezfio/library
ed36702f8a536038077a5ff81436dfb3 FNa.out.ezfio/mo_basis/mo_coef.gz
34c3a6b3d8842832a97424599be643a1 FNa.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 FNa.out.ezfio/mo_basis/mo_label
55bae10b6b753930a6a67997d52938e1 FNa.out.ezfio/mo_basis/mo_occ.gz
b2b67cad58d23cdecc860d449529a767 FNa.out.ezfio/mo_basis/mo_symmetry.gz
ec138cf55b9da2ea6b9d151433df2baf FNa.out.ezfio/mo_basis/mo_tot_num
4be72b5f7fc007d11e3ea2f3329058eb FNa.out.ezfio/nuclei/nucl_charge.gz
704cc41e0b673813a246a8fab020d639 FNa.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 FNa.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b FNa.out.ezfio/output/empty

20
data/inputs/FP.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
8d0c1ce25afb95e0141c7673fa248c17 FP.out.ezfio/ao_basis/ao_coef.gz
23d84262ac148d36ea5031ba5a165430 FP.out.ezfio/ao_basis/ao_expo.gz
a16e5217d8d88e5092fba9c7b23d1f8a FP.out.ezfio/ao_basis/ao_nucl.gz
3684cba18cb251696e3efbe2a411ff51 FP.out.ezfio/ao_basis/ao_num
c6493497b9038f50dad92b6c54a9c941 FP.out.ezfio/ao_basis/ao_power.gz
1a03d8df5b095f49baf434102a03a6ee FP.out.ezfio/ao_basis/ao_prim_num.gz
5f49c8752062f65b95efea0b53c8dcba FP.out.ezfio/electrons/elec_alpha_num
86a89aacd3c5e8bdec809a62620500e9 FP.out.ezfio/electrons/elec_beta_num
24ac35ce2a021a12785553fccb14bee4 FP.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf FP.out.ezfio/ezfio/library
be2558cc3a707c006c018f9f3376d12e FP.out.ezfio/mo_basis/mo_coef.gz
19b4b75022a56301187972b0d04845f9 FP.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 FP.out.ezfio/mo_basis/mo_label
8b6e1f7ef72261f0d0616b687a092791 FP.out.ezfio/mo_basis/mo_occ.gz
1554839ba48de6a0f108d45f9519817e FP.out.ezfio/mo_basis/mo_symmetry.gz
ec138cf55b9da2ea6b9d151433df2baf FP.out.ezfio/mo_basis/mo_tot_num
279195f657e92054f19e752bce49188c FP.out.ezfio/nuclei/nucl_charge.gz
8bbf0e36d438fbbfb5de3ae5f0e09fd4 FP.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 FP.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b FP.out.ezfio/output/empty

20
data/inputs/FS.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
13bf7896204bd3e66473e84b06c969e5 FS.out.ezfio/ao_basis/ao_coef.gz
b36e79a2895e66b9d11a866ab27aad34 FS.out.ezfio/ao_basis/ao_expo.gz
d4e64e32a41886220dcccbb0dbd41371 FS.out.ezfio/ao_basis/ao_nucl.gz
3684cba18cb251696e3efbe2a411ff51 FS.out.ezfio/ao_basis/ao_num
cf79c38adb623107054e572f2a826e2c FS.out.ezfio/ao_basis/ao_power.gz
4540f3ad8a2be8392a4f5803c41fe607 FS.out.ezfio/ao_basis/ao_prim_num.gz
5f49c8752062f65b95efea0b53c8dcba FS.out.ezfio/electrons/elec_alpha_num
8d6827f8fa944d207bb6ef46c5619939 FS.out.ezfio/electrons/elec_beta_num
8f807c2fc783e5fb144696c5665ef378 FS.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf FS.out.ezfio/ezfio/library
4b7ebdb054cdd675cc3910da346a258f FS.out.ezfio/mo_basis/mo_coef.gz
cbb5a50341757c74653b43b3fc84b29f FS.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 FS.out.ezfio/mo_basis/mo_label
961c69a948df729ea09b7ab183215144 FS.out.ezfio/mo_basis/mo_occ.gz
2b8bc489daa0be9257606e8814397b38 FS.out.ezfio/mo_basis/mo_symmetry.gz
ec138cf55b9da2ea6b9d151433df2baf FS.out.ezfio/mo_basis/mo_tot_num
0f1425710670660886c5c077aed33ba8 FS.out.ezfio/nuclei/nucl_charge.gz
9952a13a01c3f03dc6109d5b3b5a94e6 FS.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 FS.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b FS.out.ezfio/output/empty

20
data/inputs/FSi.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
6bec4b1054e37932c447112265c55ebc FSi.out.ezfio/ao_basis/ao_coef.gz
fe8d683383ddc423b7baf10781f678d2 FSi.out.ezfio/ao_basis/ao_expo.gz
0e1131ff4c7cb0fa131d3911801f4403 FSi.out.ezfio/ao_basis/ao_nucl.gz
3684cba18cb251696e3efbe2a411ff51 FSi.out.ezfio/ao_basis/ao_num
557c68fcbff90a08e4bcec92ec1aa28c FSi.out.ezfio/ao_basis/ao_power.gz
9983d5096d5245f5b57474725f047819 FSi.out.ezfio/ao_basis/ao_prim_num.gz
8d6827f8fa944d207bb6ef46c5619939 FSi.out.ezfio/electrons/elec_alpha_num
86a89aacd3c5e8bdec809a62620500e9 FSi.out.ezfio/electrons/elec_beta_num
8f807c2fc783e5fb144696c5665ef378 FSi.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf FSi.out.ezfio/ezfio/library
be180d515de980777ade61a3bad825d1 FSi.out.ezfio/mo_basis/mo_coef.gz
bbe0bb30721558256a184bbadefb039f FSi.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 FSi.out.ezfio/mo_basis/mo_label
ea1317218cd0aed10a81b07e16761079 FSi.out.ezfio/mo_basis/mo_occ.gz
ae288fca982a60818f6c8f02da121a67 FSi.out.ezfio/mo_basis/mo_symmetry.gz
ec138cf55b9da2ea6b9d151433df2baf FSi.out.ezfio/mo_basis/mo_tot_num
d339652334c5e8e36cf9197f2496011f FSi.out.ezfio/nuclei/nucl_charge.gz
0aae2b298ed132fb0816a9c8684cd9ee FSi.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 FSi.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b FSi.out.ezfio/output/empty

20
data/inputs/FSiH3.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
ca18e574b3d06e825b59a311eeab49d8 FSiH3.out.ezfio/ao_basis/ao_coef.gz
83a0c279c09e381b966c9ff30af61d95 FSiH3.out.ezfio/ao_basis/ao_expo.gz
6726f85e6ce90106018b4e3de73d26f1 FSiH3.out.ezfio/ao_basis/ao_nucl.gz
05c099f9ecff73ec414553f6a8dba5d5 FSiH3.out.ezfio/ao_basis/ao_num
6ece9207b9a8283698a02f11aae2a7f7 FSiH3.out.ezfio/ao_basis/ao_power.gz
3ab3fe093011581b8869a5ec446f8960 FSiH3.out.ezfio/ao_basis/ao_prim_num.gz
5f49c8752062f65b95efea0b53c8dcba FSiH3.out.ezfio/electrons/elec_alpha_num
5f49c8752062f65b95efea0b53c8dcba FSiH3.out.ezfio/electrons/elec_beta_num
24ac35ce2a021a12785553fccb14bee4 FSiH3.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf FSiH3.out.ezfio/ezfio/library
3260e258d8a1700db79d86a5cc4843ed FSiH3.out.ezfio/mo_basis/mo_coef.gz
946c7fb48c3ac2eff606bde34c29dcd8 FSiH3.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 FSiH3.out.ezfio/mo_basis/mo_label
c58e72a5ee6aea352c9d8fc290dc0dba FSiH3.out.ezfio/mo_basis/mo_occ.gz
ecf4d14dcde626269e65211b3625a818 FSiH3.out.ezfio/mo_basis/mo_symmetry.gz
52570edec379a3e8f7281a52b6f517b7 FSiH3.out.ezfio/mo_basis/mo_tot_num
849d62b4e15d3acc462b650f0137890e FSiH3.out.ezfio/nuclei/nucl_charge.gz
04637db0ab153642f835911b15a3d928 FSiH3.out.ezfio/nuclei/nucl_coord.gz
d765d41448fe246fcc034b66e2768837 FSiH3.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b FSiH3.out.ezfio/output/empty

20
data/inputs/H.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
64a22c737b66feb6e05a318f348911b3 H.out.ezfio/ao_basis/ao_coef.gz
666c7fd70e7ae29e8ef904f3334032e5 H.out.ezfio/ao_basis/ao_expo.gz
65ca29ece64f1818652a9e98bddec635 H.out.ezfio/ao_basis/ao_nucl.gz
d765d41448fe246fcc034b66e2768837 H.out.ezfio/ao_basis/ao_num
5962f7c3edc741eb44a7dc0ece96b735 H.out.ezfio/ao_basis/ao_power.gz
a97c75633979c4bd9282ca4933ed307b H.out.ezfio/ao_basis/ao_prim_num.gz
765e1f05dd3fbab8c7ebefaf2f1813e4 H.out.ezfio/electrons/elec_alpha_num
4facec4ccb687b93ee887b82081b30e9 H.out.ezfio/electrons/elec_beta_num
bfbc72748f3f06663240a2fd76260061 H.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf H.out.ezfio/ezfio/library
690e7f715281291d1901d451f6996b30 H.out.ezfio/mo_basis/mo_coef.gz
e91894ab67fb458947038370923d3e03 H.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 H.out.ezfio/mo_basis/mo_label
ae042f1e1a93a1fc6a8591da84aaa485 H.out.ezfio/mo_basis/mo_occ.gz
7c84e5cbad7d680a82a62f2b78ac4944 H.out.ezfio/mo_basis/mo_symmetry.gz
d765d41448fe246fcc034b66e2768837 H.out.ezfio/mo_basis/mo_tot_num
840658d3e99e3ba044cc5b6eebf04040 H.out.ezfio/nuclei/nucl_charge.gz
7638d78670bd3d872dde798d4b52ec0c H.out.ezfio/nuclei/nucl_coord.gz
765e1f05dd3fbab8c7ebefaf2f1813e4 H.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b H.out.ezfio/output/empty

20
data/inputs/H2.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
e924f12e23c746c749d5d916b2657cf2 H2.out.ezfio/ao_basis/ao_coef.gz
f400a50b5c3a2aedf859de65bd4886b4 H2.out.ezfio/ao_basis/ao_expo.gz
797b7ae2488ee13ebe9d032de01f81cd H2.out.ezfio/ao_basis/ao_nucl.gz
b5e150f8a5f428ced2b7812819cd43b0 H2.out.ezfio/ao_basis/ao_num
f55eff9fcd35e9105c8d884f48f90f85 H2.out.ezfio/ao_basis/ao_power.gz
c7ccae9c555f7dbe50e7452e0f635055 H2.out.ezfio/ao_basis/ao_prim_num.gz
765e1f05dd3fbab8c7ebefaf2f1813e4 H2.out.ezfio/electrons/elec_alpha_num
765e1f05dd3fbab8c7ebefaf2f1813e4 H2.out.ezfio/electrons/elec_beta_num
1d84da015049e61d9f507b71a2931054 H2.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf H2.out.ezfio/ezfio/library
6ce7eba2ddfd9f0f22cdb94cc0c4fa1f H2.out.ezfio/mo_basis/mo_coef.gz
c6470fe7189d9ab0685e86e8ab7b6850 H2.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 H2.out.ezfio/mo_basis/mo_label
4d0083d190125105aceac11c4e13bfa1 H2.out.ezfio/mo_basis/mo_occ.gz
15060a66aadfd89f1f0d20cfbc7186a5 H2.out.ezfio/mo_basis/mo_symmetry.gz
b5e150f8a5f428ced2b7812819cd43b0 H2.out.ezfio/mo_basis/mo_tot_num
1d4eb19854da2a4063d1125ca739dcb1 H2.out.ezfio/nuclei/nucl_charge.gz
00b9f87dff1c24b4b42020159b90e8d6 H2.out.ezfio/nuclei/nucl_coord.gz
b8d55a162b3e0811e1c93a1c6f157817 H2.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b H2.out.ezfio/output/empty

20
data/inputs/H2CNH.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
3b5d2f11a2b9d1a838f957b415a194a7 H2CNH.out.ezfio/ao_basis/ao_coef.gz
9b383036cb0ebb4a6e6e1352274936d9 H2CNH.out.ezfio/ao_basis/ao_expo.gz
4b1e483f46f2b57d4ec4ab296cf1dd57 H2CNH.out.ezfio/ao_basis/ao_nucl.gz
9b35e2a02ecae92c944cd0800edcee97 H2CNH.out.ezfio/ao_basis/ao_num
e9f2af5cdcca81d056e61623fcecacbb H2CNH.out.ezfio/ao_basis/ao_power.gz
9ffef95e4e92677d1d68d8329b4f8a32 H2CNH.out.ezfio/ao_basis/ao_prim_num.gz
6156a0908e61aaf7a450978fcd37322d H2CNH.out.ezfio/electrons/elec_alpha_num
6156a0908e61aaf7a450978fcd37322d H2CNH.out.ezfio/electrons/elec_beta_num
8f807c2fc783e5fb144696c5665ef378 H2CNH.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf H2CNH.out.ezfio/ezfio/library
8707c92b8ffd9fb727f8529f83d97fab H2CNH.out.ezfio/mo_basis/mo_coef.gz
fbbfdf0aebe6453345fb113a4f0ea0a1 H2CNH.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 H2CNH.out.ezfio/mo_basis/mo_label
30bdb363bf4d2c5f2ed46e781e8692db H2CNH.out.ezfio/mo_basis/mo_occ.gz
b1cb1982e65f12dd2504fe4dbb61a06b H2CNH.out.ezfio/mo_basis/mo_symmetry.gz
5ba32d93aaa7cc90860fecd76c616fee H2CNH.out.ezfio/mo_basis/mo_tot_num
34149bb000d1ace3ee239f4e322ba714 H2CNH.out.ezfio/nuclei/nucl_charge.gz
cbe3e965b9919e5cca635309d15f1d5e H2CNH.out.ezfio/nuclei/nucl_coord.gz
d765d41448fe246fcc034b66e2768837 H2CNH.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b H2CNH.out.ezfio/output/empty

20
data/inputs/H2CO.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
66d40e4f925a1b6a6ce50f353a60271d H2CO.out.ezfio/ao_basis/ao_coef.gz
8988ffaa08cd7ff4a6c02df08224d142 H2CO.out.ezfio/ao_basis/ao_expo.gz
ee861706d72ea78d0782f4a6b2e88416 H2CO.out.ezfio/ao_basis/ao_nucl.gz
124cdb899e63978aabd1369eebce31a3 H2CO.out.ezfio/ao_basis/ao_num
f6284ae2f01164b693eadb5ea7606805 H2CO.out.ezfio/ao_basis/ao_power.gz
93c4c3b9a65b2b63072180121c74dbba H2CO.out.ezfio/ao_basis/ao_prim_num.gz
6156a0908e61aaf7a450978fcd37322d H2CO.out.ezfio/electrons/elec_alpha_num
6156a0908e61aaf7a450978fcd37322d H2CO.out.ezfio/electrons/elec_beta_num
4ce84f8b035f456ad078a6d701871c9f H2CO.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf H2CO.out.ezfio/ezfio/library
990e6b7f12398bc087f5cf29b113315b H2CO.out.ezfio/mo_basis/mo_coef.gz
9ee5750f3a5b87b8f336e2264260fd3a H2CO.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 H2CO.out.ezfio/mo_basis/mo_label
0ce258b3ed22cacf14dda72b4ea7776f H2CO.out.ezfio/mo_basis/mo_occ.gz
8199428b3dfca764d60f8716d5a0f489 H2CO.out.ezfio/mo_basis/mo_symmetry.gz
2d176e3fd2a2bc8ed352f827d87ded6b H2CO.out.ezfio/mo_basis/mo_tot_num
c38417566055100068e39f49f03632e7 H2CO.out.ezfio/nuclei/nucl_charge.gz
48a48875c5862fc1cef9d0cab228526e H2CO.out.ezfio/nuclei/nucl_coord.gz
a5ae057cdae95f3930403204a9c9cbe2 H2CO.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b H2CO.out.ezfio/output/empty

20
data/inputs/H2CPH.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
8453e744b73fc313b334be3e47eedb3c H2CPH.out.ezfio/ao_basis/ao_coef.gz
2d0cb57c8b4845c69799e2d3528caa06 H2CPH.out.ezfio/ao_basis/ao_expo.gz
c5aeb9c9f52ced073123f9e398be31eb H2CPH.out.ezfio/ao_basis/ao_nucl.gz
05c099f9ecff73ec414553f6a8dba5d5 H2CPH.out.ezfio/ao_basis/ao_num
c79c6604c75e960a89db7ff59e2792af H2CPH.out.ezfio/ao_basis/ao_power.gz
f76cfc415f9954bf735a3a246d39a8e9 H2CPH.out.ezfio/ao_basis/ao_prim_num.gz
8d6827f8fa944d207bb6ef46c5619939 H2CPH.out.ezfio/electrons/elec_alpha_num
8d6827f8fa944d207bb6ef46c5619939 H2CPH.out.ezfio/electrons/elec_beta_num
4ce84f8b035f456ad078a6d701871c9f H2CPH.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf H2CPH.out.ezfio/ezfio/library
0824dbfbeae504129e176beccb7336bf H2CPH.out.ezfio/mo_basis/mo_coef.gz
bb47f1f1d73a879bc6c20dd07b1fd14e H2CPH.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 H2CPH.out.ezfio/mo_basis/mo_label
8539aa265f03331c231230b4620cafc9 H2CPH.out.ezfio/mo_basis/mo_occ.gz
8ce3a24c7e46723b89b2e84a712c1308 H2CPH.out.ezfio/mo_basis/mo_symmetry.gz
52570edec379a3e8f7281a52b6f517b7 H2CPH.out.ezfio/mo_basis/mo_tot_num
2fe8b3fa3ca0a424342aadf0e90c1da2 H2CPH.out.ezfio/nuclei/nucl_charge.gz
b6a59259b71f176dbdec2337cd9849df H2CPH.out.ezfio/nuclei/nucl_coord.gz
d765d41448fe246fcc034b66e2768837 H2CPH.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b H2CPH.out.ezfio/output/empty

20
data/inputs/H2CS.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
7a23e55aa54f9674dbdae0f326ceea0a H2CS.out.ezfio/ao_basis/ao_coef.gz
0a0beb3f991d78516467ce3db132ae82 H2CS.out.ezfio/ao_basis/ao_expo.gz
99cf4aca823eca5afbcf04a1a55fd018 H2CS.out.ezfio/ao_basis/ao_nucl.gz
66b510db2360cf023c3917bfe934ec3e H2CS.out.ezfio/ao_basis/ao_num
d747ef80d1d62bd21f91698e77c7b6e2 H2CS.out.ezfio/ao_basis/ao_power.gz
7658721c37cc52fbed28ab221ac6d466 H2CS.out.ezfio/ao_basis/ao_prim_num.gz
8d6827f8fa944d207bb6ef46c5619939 H2CS.out.ezfio/electrons/elec_alpha_num
8d6827f8fa944d207bb6ef46c5619939 H2CS.out.ezfio/electrons/elec_beta_num
1d84da015049e61d9f507b71a2931054 H2CS.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf H2CS.out.ezfio/ezfio/library
314bd4b54a31852587ba7258cdcc266d H2CS.out.ezfio/mo_basis/mo_coef.gz
f1f4870dd4da8bc9a47d21c1220b4162 H2CS.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 H2CS.out.ezfio/mo_basis/mo_label
335b3e1afa443900d049e70fe0348975 H2CS.out.ezfio/mo_basis/mo_occ.gz
b4e1724c4f853658a64b4bc9a4b520c0 H2CS.out.ezfio/mo_basis/mo_symmetry.gz
dfff84f22a976abd01f2a4ed2ae9d648 H2CS.out.ezfio/mo_basis/mo_tot_num
6bd2c5e909d893d94cbc578046626226 H2CS.out.ezfio/nuclei/nucl_charge.gz
67a69c238571603bd593777e2b0719e5 H2CS.out.ezfio/nuclei/nucl_coord.gz
a5ae057cdae95f3930403204a9c9cbe2 H2CS.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b H2CS.out.ezfio/output/empty

20
data/inputs/H2NNH2.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
66d5ac723d9bfb06f3b8b74e99b0115b H2NNH2.out.ezfio/ao_basis/ao_coef.gz
0c01798fa9b078cfa206808de3b52f77 H2NNH2.out.ezfio/ao_basis/ao_expo.gz
422ba6777aea3c70278ba76be81c4c9c H2NNH2.out.ezfio/ao_basis/ao_nucl.gz
f5e60ae18b7c53706d84e2d455c3d355 H2NNH2.out.ezfio/ao_basis/ao_num
1ce8d136de82b71c3f9ae05e1f0e3544 H2NNH2.out.ezfio/ao_basis/ao_power.gz
228d124ba23f6cb7c20de60dc5413e50 H2NNH2.out.ezfio/ao_basis/ao_prim_num.gz
6ddd54f604d3a6c6e28eebd0b6e08ddc H2NNH2.out.ezfio/electrons/elec_alpha_num
6ddd54f604d3a6c6e28eebd0b6e08ddc H2NNH2.out.ezfio/electrons/elec_beta_num
1d84da015049e61d9f507b71a2931054 H2NNH2.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf H2NNH2.out.ezfio/ezfio/library
6b6e43885814c30a61f849dad2836069 H2NNH2.out.ezfio/mo_basis/mo_coef.gz
627609c76e43d366444374c3958b7f12 H2NNH2.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 H2NNH2.out.ezfio/mo_basis/mo_label
0234f4c093abcdd0e41e40b9f06784ee H2NNH2.out.ezfio/mo_basis/mo_occ.gz
7fd80e8180442bf5dd3a2f4c561dca57 H2NNH2.out.ezfio/mo_basis/mo_symmetry.gz
549c7c5c03725b189fd79c482eeecbb0 H2NNH2.out.ezfio/mo_basis/mo_tot_num
23ad80f909508524fdf88142fa471023 H2NNH2.out.ezfio/nuclei/nucl_charge.gz
8094ad7232aef424a0efa25d7ff93bcf H2NNH2.out.ezfio/nuclei/nucl_coord.gz
503018260a2f6fc8557fcf29300fa8bb H2NNH2.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b H2NNH2.out.ezfio/output/empty

20
data/inputs/H2PPH2.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
e7dcce3af8d1094504e9954d5fba8ebb H2PPH2.out.ezfio/ao_basis/ao_coef.gz
ed36cbdbd7b6bec8add57360d3489ff8 H2PPH2.out.ezfio/ao_basis/ao_expo.gz
b2ff2ae1798252f3b3fc9191d8d1b1f2 H2PPH2.out.ezfio/ao_basis/ao_nucl.gz
7b02ec1aa5d73b2c30b4321858a7b17b H2PPH2.out.ezfio/ao_basis/ao_num
ef8791f52ec512ef3c943fb34c60611a H2PPH2.out.ezfio/ao_basis/ao_power.gz
d9b8c2e28bc3b75741000993cf00d9a3 H2PPH2.out.ezfio/ao_basis/ao_prim_num.gz
3354314be84298bd0a185fee97c87c44 H2PPH2.out.ezfio/electrons/elec_alpha_num
3354314be84298bd0a185fee97c87c44 H2PPH2.out.ezfio/electrons/elec_beta_num
d7e8787b81e83ac706d87d0c514f2ac4 H2PPH2.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf H2PPH2.out.ezfio/ezfio/library
0b6ede259df6e067ac9defc6cae410a6 H2PPH2.out.ezfio/mo_basis/mo_coef.gz
6f0f7f61a46c11cf5ca7e5f1b0a9a4c8 H2PPH2.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 H2PPH2.out.ezfio/mo_basis/mo_label
edda3e56c4102f81575bf086580cd64d H2PPH2.out.ezfio/mo_basis/mo_occ.gz
e1b58577d8963edcb2d5fdba5a99b633 H2PPH2.out.ezfio/mo_basis/mo_symmetry.gz
2d4ee2ebe0628540ea48e229cd613370 H2PPH2.out.ezfio/mo_basis/mo_tot_num
092122afaa0d0a686e902ba2606cf867 H2PPH2.out.ezfio/nuclei/nucl_charge.gz
e9fdbc2bb016421d73d38e4aeef923ef H2PPH2.out.ezfio/nuclei/nucl_coord.gz
503018260a2f6fc8557fcf29300fa8bb H2PPH2.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b H2PPH2.out.ezfio/output/empty

20
data/inputs/H3CCl.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
334d806f5b70ff7b5bea3a0a38f9e51d H3CCl.out.ezfio/ao_basis/ao_coef.gz
397594ca02c4c66e0f0c7c6d531b0a6b H3CCl.out.ezfio/ao_basis/ao_expo.gz
9559781359b5a9e70a13dd3fa8f55a6c H3CCl.out.ezfio/ao_basis/ao_nucl.gz
05c099f9ecff73ec414553f6a8dba5d5 H3CCl.out.ezfio/ao_basis/ao_num
5531f549b961d08b5db7d655c18c9ecf H3CCl.out.ezfio/ao_basis/ao_power.gz
2d75feee10de894e08ae639bf1f7c6d2 H3CCl.out.ezfio/ao_basis/ao_prim_num.gz
5f49c8752062f65b95efea0b53c8dcba H3CCl.out.ezfio/electrons/elec_alpha_num
5f49c8752062f65b95efea0b53c8dcba H3CCl.out.ezfio/electrons/elec_beta_num
f58135ca6a41ccaa80757005f86861b1 H3CCl.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf H3CCl.out.ezfio/ezfio/library
3305ef151da80bd5bcfe34c8995ae516 H3CCl.out.ezfio/mo_basis/mo_coef.gz
7a2e9b16eccb9f5f834df21f5e654312 H3CCl.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 H3CCl.out.ezfio/mo_basis/mo_label
6904ecfe2cd8703550b59e82ff21bef2 H3CCl.out.ezfio/mo_basis/mo_occ.gz
969bbbd6f8f424e3839f7d3127fd292a H3CCl.out.ezfio/mo_basis/mo_symmetry.gz
52570edec379a3e8f7281a52b6f517b7 H3CCl.out.ezfio/mo_basis/mo_tot_num
b31a491c597006a93d823d6fb981cd90 H3CCl.out.ezfio/nuclei/nucl_charge.gz
6ee3a3de298ab15932dd524024565215 H3CCl.out.ezfio/nuclei/nucl_coord.gz
d765d41448fe246fcc034b66e2768837 H3CCl.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b H3CCl.out.ezfio/output/empty

20
data/inputs/H3CF.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
382882d2f394dcc8e9cacbfc04c23ee6 H3CF.out.ezfio/ao_basis/ao_coef.gz
2d1d6cba939dbb7d586be5e0ad47bf3c H3CF.out.ezfio/ao_basis/ao_expo.gz
663ef0fb5a153976273424c54c23213a H3CF.out.ezfio/ao_basis/ao_nucl.gz
9b35e2a02ecae92c944cd0800edcee97 H3CF.out.ezfio/ao_basis/ao_num
85aba758d0b480fde0e00a9f8bd9293c H3CF.out.ezfio/ao_basis/ao_power.gz
ef144e7e00a49795c2fd2a596c61a51b H3CF.out.ezfio/ao_basis/ao_prim_num.gz
6ddd54f604d3a6c6e28eebd0b6e08ddc H3CF.out.ezfio/electrons/elec_alpha_num
6ddd54f604d3a6c6e28eebd0b6e08ddc H3CF.out.ezfio/electrons/elec_beta_num
f58135ca6a41ccaa80757005f86861b1 H3CF.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf H3CF.out.ezfio/ezfio/library
34b13245bbb58bc6425c37b680459632 H3CF.out.ezfio/mo_basis/mo_coef.gz
427dfb1a74e636194762405620f0fd05 H3CF.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 H3CF.out.ezfio/mo_basis/mo_label
2515745541f2b64509b15513e6db732d H3CF.out.ezfio/mo_basis/mo_occ.gz
7279870e8a9ab73e7741982a676d877c H3CF.out.ezfio/mo_basis/mo_symmetry.gz
5ba32d93aaa7cc90860fecd76c616fee H3CF.out.ezfio/mo_basis/mo_tot_num
13e61d15ea67203f13dba61bc530398f H3CF.out.ezfio/nuclei/nucl_charge.gz
470b9c0f62a02e93f5185cf6d759d669 H3CF.out.ezfio/nuclei/nucl_coord.gz
d765d41448fe246fcc034b66e2768837 H3CF.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b H3CF.out.ezfio/output/empty

20
data/inputs/H3CNH2.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
4c48f5cf436d4d49d669749a3ba512da H3CNH2.out.ezfio/ao_basis/ao_coef.gz
50bc7624109b07d5a3783bead491c84e H3CNH2.out.ezfio/ao_basis/ao_expo.gz
a3d9b7f72bf2d0279ab3ce545b53646a H3CNH2.out.ezfio/ao_basis/ao_nucl.gz
93b2ef6f959810177ebe5d5f79899d50 H3CNH2.out.ezfio/ao_basis/ao_num
0e9c5f79aa36da1c9321b42094e2fe82 H3CNH2.out.ezfio/ao_basis/ao_power.gz
b4abd7dadaed7e7cb08f7f28ef4921e4 H3CNH2.out.ezfio/ao_basis/ao_prim_num.gz
6ddd54f604d3a6c6e28eebd0b6e08ddc H3CNH2.out.ezfio/electrons/elec_alpha_num
6ddd54f604d3a6c6e28eebd0b6e08ddc H3CNH2.out.ezfio/electrons/elec_beta_num
8776834b01417d3b29a63457e29507fa H3CNH2.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf H3CNH2.out.ezfio/ezfio/library
76017bfce5f9e68f721e007c16f4f1b5 H3CNH2.out.ezfio/mo_basis/mo_coef.gz
e995e6f697391d729bfeb2d26c75dc12 H3CNH2.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 H3CNH2.out.ezfio/mo_basis/mo_label
cfcd2ef4cc964617f6d65b38c48af286 H3CNH2.out.ezfio/mo_basis/mo_occ.gz
693ff5fdb714ca1c7b9def0ec984cd06 H3CNH2.out.ezfio/mo_basis/mo_symmetry.gz
c1e625c95fbf54fb8648fe87a1d5b013 H3CNH2.out.ezfio/mo_basis/mo_tot_num
5c693587a6209c061640fac80fe2e3c9 H3CNH2.out.ezfio/nuclei/nucl_charge.gz
6d01cd26748c0f3bf6f3d8ac4e803b7e H3CNH2.out.ezfio/nuclei/nucl_coord.gz
4e94260b47ac90ce146cf693b6ea796f H3CNH2.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b H3CNH2.out.ezfio/output/empty

20
data/inputs/H3COH.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
6b6c9c449b759b60122ac51e4672a7f5 H3COH.out.ezfio/ao_basis/ao_coef.gz
15e2455cc0b1881ebfd0ef97c931b9d2 H3COH.out.ezfio/ao_basis/ao_expo.gz
3e4fc17291b4f960757c6da3d39c332f H3COH.out.ezfio/ao_basis/ao_nucl.gz
f5e60ae18b7c53706d84e2d455c3d355 H3COH.out.ezfio/ao_basis/ao_num
90731e404e7a56762e65a229a47feea9 H3COH.out.ezfio/ao_basis/ao_power.gz
43a7306e1cca5712ee5a4ab04b3e5ac4 H3COH.out.ezfio/ao_basis/ao_prim_num.gz
6ddd54f604d3a6c6e28eebd0b6e08ddc H3COH.out.ezfio/electrons/elec_alpha_num
6ddd54f604d3a6c6e28eebd0b6e08ddc H3COH.out.ezfio/electrons/elec_beta_num
8776834b01417d3b29a63457e29507fa H3COH.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf H3COH.out.ezfio/ezfio/library
597dd7a5c628277cc6adc72d7970e1a8 H3COH.out.ezfio/mo_basis/mo_coef.gz
6b7bfdf1ed525feec6337f34c96809c4 H3COH.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 H3COH.out.ezfio/mo_basis/mo_label
789fff63ea83c62f08665c8af5166d04 H3COH.out.ezfio/mo_basis/mo_occ.gz
15e9a48a96d35e30755c43b9d0b47cd8 H3COH.out.ezfio/mo_basis/mo_symmetry.gz
549c7c5c03725b189fd79c482eeecbb0 H3COH.out.ezfio/mo_basis/mo_tot_num
806532deca4b2ab286db843ed97eaaca H3COH.out.ezfio/nuclei/nucl_charge.gz
ce7451e5f973568e4c1d1ec7983427b5 H3COH.out.ezfio/nuclei/nucl_coord.gz
503018260a2f6fc8557fcf29300fa8bb H3COH.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b H3COH.out.ezfio/output/empty

20
data/inputs/H3CSH.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
a96ddd9dd8ca76b47beb7e9353825af8 H3CSH.out.ezfio/ao_basis/ao_coef.gz
37a5e2f2afffb161bbc0d442699fdcdb H3CSH.out.ezfio/ao_basis/ao_expo.gz
5e72a0119b4749971d17099ffbbf4588 H3CSH.out.ezfio/ao_basis/ao_nucl.gz
3aa966b79cdfb8aee650e009bf2d85b4 H3CSH.out.ezfio/ao_basis/ao_num
eae57af0bf4b64c9ed2f95f8cace30a6 H3CSH.out.ezfio/ao_basis/ao_power.gz
a23dbf77763f32858365b04de22cc211 H3CSH.out.ezfio/ao_basis/ao_prim_num.gz
5f49c8752062f65b95efea0b53c8dcba H3CSH.out.ezfio/electrons/elec_alpha_num
5f49c8752062f65b95efea0b53c8dcba H3CSH.out.ezfio/electrons/elec_beta_num
8d32889c08a059722b3fa7b59250fb53 H3CSH.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf H3CSH.out.ezfio/ezfio/library
a20f51e80fb2bf8811d25e1efe23fd5f H3CSH.out.ezfio/mo_basis/mo_coef.gz
ad4838f9476f61735a6e803bf1a0f7db H3CSH.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 H3CSH.out.ezfio/mo_basis/mo_label
8da863179ac2c876af6fbf172dcb7509 H3CSH.out.ezfio/mo_basis/mo_occ.gz
f8deeb1d0cde670a9f6264e469268b24 H3CSH.out.ezfio/mo_basis/mo_symmetry.gz
a081296c05e794cafc03d2993cbb8898 H3CSH.out.ezfio/mo_basis/mo_tot_num
c05aabdf9fed7fb93a06ebb95c089bc3 H3CSH.out.ezfio/nuclei/nucl_charge.gz
0660772b55bad8d4f3fea7a4353c7805 H3CSH.out.ezfio/nuclei/nucl_coord.gz
503018260a2f6fc8557fcf29300fa8bb H3CSH.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b H3CSH.out.ezfio/output/empty

20
data/inputs/H3SiSiH3.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
8ede75ff3be93359289560a4fbc13c54 H3SiSiH3.out.ezfio/ao_basis/ao_coef.gz
bca7bce0e70a6ab03cf4347ccf1362bf H3SiSiH3.out.ezfio/ao_basis/ao_expo.gz
8773977b4a0d2814d81920b0e3a8cac1 H3SiSiH3.out.ezfio/ao_basis/ao_nucl.gz
d9107b803aaa376046bef7bbbd2d0d95 H3SiSiH3.out.ezfio/ao_basis/ao_num
9d841b4136a0ea342cdcd542502e78ed H3SiSiH3.out.ezfio/ao_basis/ao_power.gz
7e9c7bdf38f4d1214f2e201a40e97500 H3SiSiH3.out.ezfio/ao_basis/ao_prim_num.gz
3354314be84298bd0a185fee97c87c44 H3SiSiH3.out.ezfio/electrons/elec_alpha_num
3354314be84298bd0a185fee97c87c44 H3SiSiH3.out.ezfio/electrons/elec_beta_num
8d32889c08a059722b3fa7b59250fb53 H3SiSiH3.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf H3SiSiH3.out.ezfio/ezfio/library
054505cafe7dc93fd8639492f85990de H3SiSiH3.out.ezfio/mo_basis/mo_coef.gz
2651840e0718044b831de26776f4de23 H3SiSiH3.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 H3SiSiH3.out.ezfio/mo_basis/mo_label
a2f743225c36771b2c6cf4beaa6bffce H3SiSiH3.out.ezfio/mo_basis/mo_occ.gz
8221dada6ad154662a050bf3c23d7c73 H3SiSiH3.out.ezfio/mo_basis/mo_symmetry.gz
14bf0e2660fa8fe21c07546a9a2e2df1 H3SiSiH3.out.ezfio/mo_basis/mo_tot_num
44288d963eb5a0af08107a75cc54f425 H3SiSiH3.out.ezfio/nuclei/nucl_charge.gz
c89e6718bef94de809de6d9b17932fcc H3SiSiH3.out.ezfio/nuclei/nucl_coord.gz
6156a0908e61aaf7a450978fcd37322d H3SiSiH3.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b H3SiSiH3.out.ezfio/output/empty

20
data/inputs/HBO.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
fda9732bcb5f8e7b9d485740d312ab0e HBO.out.ezfio/ao_basis/ao_coef.gz
009d00c42f6ad96f523a75589a5138ff HBO.out.ezfio/ao_basis/ao_expo.gz
51205bf092e214fc045eae03a9c5f8b2 HBO.out.ezfio/ao_basis/ao_nucl.gz
ea2a34d42beeb57bfa1b3f55ec5280ef HBO.out.ezfio/ao_basis/ao_num
b76961b5f342f233c30f198e4ba66428 HBO.out.ezfio/ao_basis/ao_power.gz
087812813c67799853eed0c72fa35dfd HBO.out.ezfio/ao_basis/ao_prim_num.gz
4e94260b47ac90ce146cf693b6ea796f HBO.out.ezfio/electrons/elec_alpha_num
4e94260b47ac90ce146cf693b6ea796f HBO.out.ezfio/electrons/elec_beta_num
d4ca6bafaf4cc6640f72bab5c425363c HBO.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf HBO.out.ezfio/ezfio/library
e83ca6516f1f1e569ebc10fc6fd7a9c3 HBO.out.ezfio/mo_basis/mo_coef.gz
b3956b2be5bd7065e1bd9771bc06adae HBO.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 HBO.out.ezfio/mo_basis/mo_label
719419df108c29fe8c65cde1e452c9ec HBO.out.ezfio/mo_basis/mo_occ.gz
ecce83fe6cb551cad4e02cf825f7f9d8 HBO.out.ezfio/mo_basis/mo_symmetry.gz
6d565b356be2a29b033f88669e83ea32 HBO.out.ezfio/mo_basis/mo_tot_num
af372c08d2b79c6745749c2d21a16bf2 HBO.out.ezfio/nuclei/nucl_charge.gz
19ec5b3f52883a791aa8feec50ad7036 HBO.out.ezfio/nuclei/nucl_coord.gz
fc7192d47339d0d2b75886b578c1b041 HBO.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b HBO.out.ezfio/output/empty

20
data/inputs/HBS.out.ezfio.md5 Normal file
View File

@ -0,0 +1,20 @@
5b19ede714971ea0c5ef647fd16ac15b HBS.out.ezfio/ao_basis/ao_coef.gz
2b71dd5e768bf9aff3b526f64a1fd679 HBS.out.ezfio/ao_basis/ao_expo.gz
b987d5c0e6a1bb5d1988215e6b95feac HBS.out.ezfio/ao_basis/ao_nucl.gz
5167de7f84f7353565204fecdaae7500 HBS.out.ezfio/ao_basis/ao_num
9f7ecff3177a3a03ad7983e5a74c9b7a HBS.out.ezfio/ao_basis/ao_power.gz
0a9e343ae4cde6923b252b0eafa313cd HBS.out.ezfio/ao_basis/ao_prim_num.gz
86a89aacd3c5e8bdec809a62620500e9 HBS.out.ezfio/electrons/elec_alpha_num
86a89aacd3c5e8bdec809a62620500e9 HBS.out.ezfio/electrons/elec_beta_num
d4ca6bafaf4cc6640f72bab5c425363c HBS.out.ezfio/ezfio/creation
7f367b65714301b397509954da600ecf HBS.out.ezfio/ezfio/library
5b4592c46a82e3dfacf80ed0b316ae01 HBS.out.ezfio/mo_basis/mo_coef.gz
0afca840ac4b5a6296deb53045ff6e71 HBS.out.ezfio/mo_basis/mo_energy.gz
4b752f0c6bd89811f15963699a6323a0 HBS.out.ezfio/mo_basis/mo_label
37edefab54621435ba9c8428f3e304b5 HBS.out.ezfio/mo_basis/mo_occ.gz
0c2297901ac68c5490db86d57524263e HBS.out.ezfio/mo_basis/mo_symmetry.gz
e383213ab97f658639c2fb5132245584 HBS.out.ezfio/mo_basis/mo_tot_num
e96b9cb900aba93d04f7f6a1c4d1f51f HBS.out.ezfio/nuclei/nucl_charge.gz
47afd529bdfc76693a84a45cec8edbf0 HBS.out.ezfio/nuclei/nucl_coord.gz
fc7192d47339d0d2b75886b578c1b041 HBS.out.ezfio/nuclei/nucl_num
9104e54c37d062209b247e0132dbb74b HBS.out.ezfio/output/empty

Some files were not shown because too many files have changed in this diff Show More