| .. |
|
acetylene_CC3_aug-cc-pVDZ.dat
|
Add acetylene
|
2020-01-29 17:20:34 +01:00 |
|
acetylene_CC3_aug-cc-pVTZ.dat
|
Add acetylene
|
2020-01-29 17:20:34 +01:00 |
|
acetylene_CCSDT_aug-cc-pVDZ.dat
|
Add acetylene
|
2020-01-29 17:20:34 +01:00 |
|
acetylene_CCSDT_aug-cc-pVTZ.dat
|
Add acetylene
|
2020-01-29 17:20:34 +01:00 |
|
acetylene_CCSDTQ_aug-cc-pVDZ.dat
|
Add acetylene
|
2020-01-29 17:20:34 +01:00 |
|
acetylene_exFCI_aug-cc-pVDZ.dat
|
Add acetylene
|
2020-01-29 17:20:34 +01:00 |
|
acetylene_exFCI_aug-cc-pVTZ.dat
|
Add acetylene
|
2020-01-29 17:20:34 +01:00 |
|
acetylene_Exp.$^a$_Litt..dat
|
Add acetylene
|
2020-01-29 17:20:34 +01:00 |
|
acetylene_Th.$^b$_Litt..dat
|
Add acetylene
|
2020-01-29 17:20:34 +01:00 |
|
acetylene_Th.$^c$_Litt..dat
|
Add acetylene
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_CC3_aug-cc-pVDZ.dat
|
Add ammonia
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_CC3_aug-cc-pVQZ.dat
|
Add ammonia
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_CC3_aug-cc-pVTZ.dat
|
Add ammonia
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_CCSDT_aug-cc-pVDZ.dat
|
Add ammonia
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_CCSDT_aug-cc-pVQZ.dat
|
Add ammonia
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_CCSDT_aug-cc-pVTZ.dat
|
Add ammonia
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_CCSDTQ_aug-cc-pVDZ.dat
|
Add ammonia
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_CCSDTQ_aug-cc-pVTZ.dat
|
Add ammonia
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_CCSDTQP_aug-cc-pVDZ.dat
|
Add ammonia
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_exFCI_aug-cc-pVDZ.dat
|
Add ammonia
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_exFCI_aug-cc-pVQZ.dat
|
Add ammonia
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_exFCI_aug-cc-pVTZ.dat
|
Add ammonia
|
2020-01-29 17:20:34 +01:00 |
|
ammonia_exp.dat
|
Delete not wanted file and rename exp
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxide_CC3_aug-cc-pVDZ.dat
|
Add carbon monoxide
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxide_CC3_aug-cc-pVQZ.dat
|
Add carbon monoxide
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxide_CC3_aug-cc-pVTZ.dat
|
Add carbon monoxide
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxide_CCSDT_aug-cc-pVDZ.dat
|
Add carbon monoxide
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxide_CCSDT_aug-cc-pVQZ.dat
|
Add carbon monoxide
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxide_CCSDT_aug-cc-pVTZ.dat
|
Add carbon monoxide
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxide_CCSDTQ_aug-cc-pVDZ.dat
|
Add carbon monoxide
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxide_CCSDTQ_aug-cc-pVTZ.dat
|
Add carbon monoxide
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxide_CCSDTQP_aug-cc-pVDZ.dat
|
Add carbon monoxide
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxide_exFCI_aug-cc-pVDZ.dat
|
Add carbon monoxide
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxide_exFCI_aug-cc-pVQZ.dat
|
Add carbon monoxide
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxide_exFCI_aug-cc-pVTZ.dat
|
Add carbon monoxide
|
2020-01-29 17:20:34 +01:00 |
|
carbon_monoxide_exp.dat
|
Add carbon monoxide
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CC3_aug-cc-pVDZ.dat
|
Add dinitrogen
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CC3_aug-cc-pVQZ.dat
|
Add dinitrogen
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CC3_aug-cc-pVTZ.dat
|
Add dinitrogen
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CCSDT_aug-cc-pVDZ.dat
|
Add dinitrogen
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CCSDT_aug-cc-pVQZ.dat
|
Add dinitrogen
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CCSDT_aug-cc-pVTZ.dat
|
Add dinitrogen
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CCSDTQ_aug-cc-pVDZ.dat
|
Add dinitrogen
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CCSDTQ_aug-cc-pVTZ.dat
|
Add dinitrogen
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_CCSDTQP_aug-cc-pVDZ.dat
|
Add dinitrogen
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_exFCI_aug-cc-pVDZ.dat
|
Add dinitrogen
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_exFCI_aug-cc-pVQZ.dat
|
Add dinitrogen
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_exFCI_aug-cc-pVTZ.dat
|
Add dinitrogen
|
2020-01-29 17:20:34 +01:00 |
|
dinitrogen_exp.dat
|
Add dinitrogen
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CC3_aug-cc-pVDZ.dat
|
Add ethylene
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CC3_aug-cc-pVTZ.dat
|
Add ethylene
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CCSDT_aug-cc-pVDZ.dat
|
Add ethylene
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CCSDT_aug-cc-pVTZ.dat
|
Add ethylene
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_CCSDTQ_aug-cc-pVDZ.dat
|
Add ethylene
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_exFCI_aug-cc-pVDZ.dat
|
Add ethylene
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_exFCI_aug-cc-pVTZ.dat
|
Add ethylene
|
2020-01-29 17:20:34 +01:00 |
|
ethylene_Exp.$^d$_Litt..dat
|
Add ethylene
|
2020-01-29 17:20:34 +01:00 |
|
formaldehyde_CC3_aug-cc-pVDZ.dat
|
Add formaldehyde
|
2020-01-29 17:20:34 +01:00 |
|
formaldehyde_CC3_aug-cc-pVTZ.dat
|
Add formaldehyde
|
2020-01-29 17:20:34 +01:00 |
|
formaldehyde_CCSDT_aug-cc-pVDZ.dat
|
Add formaldehyde
|
2020-01-29 17:20:34 +01:00 |
|
formaldehyde_CCSDT_aug-cc-pVTZ.dat
|
Add formaldehyde
|
2020-01-29 17:20:34 +01:00 |
|
formaldehyde_CCSDTQ_aug-cc-pVDZ.dat
|
Add formaldehyde
|
2020-01-29 17:20:34 +01:00 |
|
formaldehyde_exFCI_aug-cc-pVDZ.dat
|
Add formaldehyde
|
2020-01-29 17:20:34 +01:00 |
|
formaldehyde_exFCI_aug-cc-pVTZ.dat
|
Add formaldehyde
|
2020-01-29 17:20:34 +01:00 |
|
formaldehyde_exp.dat
|
Add formaldehyde
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3_aug-cc-pVDZ.dat
|
Add Hydrogen sulfide
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3_aug-cc-pVQZ.dat
|
Add Hydrogen sulfide
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CC3_aug-cc-pVTZ.dat
|
Add Hydrogen sulfide
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CCSDT_aug-cc-pVDZ.dat
|
Add Hydrogen sulfide
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CCSDT_aug-cc-pVQZ.dat
|
Add Hydrogen sulfide
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CCSDT_aug-cc-pVTZ.dat
|
Add Hydrogen sulfide
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CCSDTQ_aug-cc-pVDZ.dat
|
Add Hydrogen sulfide
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CCSDTQ_aug-cc-pVTZ.dat
|
Add Hydrogen sulfide
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_CCSDTQP_aug-cc-pVDZ.dat
|
Add Hydrogen sulfide
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_exFCI_aug-cc-pVDZ.dat
|
Add Hydrogen sulfide
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_exFCI_aug-cc-pVQZ.dat
|
Add Hydrogen sulfide
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_exFCI_aug-cc-pVTZ.dat
|
Add Hydrogen sulfide
|
2020-01-29 17:20:34 +01:00 |
|
hydrogen_sulfide_exp.dat
|
Add Hydrogen sulfide
|
2020-01-29 17:20:34 +01:00 |
|
methanimine_CC3_aug-cc-pVDZ.dat
|
Add methanimine
|
2020-01-29 17:20:34 +01:00 |
|
methanimine_CC3_aug-cc-pVTZ.dat
|
Add methanimine
|
2020-01-29 17:20:34 +01:00 |
|
methanimine_CCSDT_aug-cc-pVDZ.dat
|
Add methanimine
|
2020-01-29 17:20:34 +01:00 |
|
methanimine_CCSDT_aug-cc-pVTZ.dat
|
Add methanimine
|
2020-01-29 17:20:34 +01:00 |
|
methanimine_CCSDTQ_aug-cc-pVDZ.dat
|
Add methanimine
|
2020-01-29 17:20:34 +01:00 |
|
methanimine_exFCI_aug-cc-pVDZ.dat
|
Add methanimine
|
2020-01-29 17:20:34 +01:00 |
|
methanimine_exFCI_aug-cc-pVTZ.dat
|
Add methanimine
|
2020-01-29 17:20:34 +01:00 |
|
methanimine_Th.$^d$_Litt..dat
|
Add methanimine
|
2020-01-29 17:20:34 +01:00 |
|
methanimine_Th.$^e$_Litt..dat
|
Add methanimine
|
2020-01-29 17:20:34 +01:00 |
|
water_CC3_aug-cc-pVDZ.dat
|
Add first table
|
2020-01-29 17:20:34 +01:00 |
|
water_CC3_aug-cc-pVQZ.dat
|
Add first table
|
2020-01-29 17:20:34 +01:00 |
|
water_CC3_aug-cc-pVTZ.dat
|
Add first table
|
2020-01-29 17:20:34 +01:00 |
|
water_CCSDT_aug-cc-pVDZ.dat
|
Add first table
|
2020-01-29 17:20:34 +01:00 |
|
water_CCSDT_aug-cc-pVQZ.dat
|
Add first table
|
2020-01-29 17:20:34 +01:00 |
|
water_CCSDT_aug-cc-pVTZ.dat
|
Add first table
|
2020-01-29 17:20:34 +01:00 |
|
water_CCSDTQ_aug-cc-pVDZ.dat
|
Add first table
|
2020-01-29 17:20:34 +01:00 |
|
water_CCSDTQ_aug-cc-pVTZ.dat
|
Add first table
|
2020-01-29 17:20:34 +01:00 |
|
water_CCSDTQP_aug-cc-pVDZ.dat
|
Add first table
|
2020-01-29 17:20:34 +01:00 |
|
water_exFCI_aug-cc-pVDZ.dat
|
Add first table
|
2020-01-29 17:20:34 +01:00 |
|
water_exFCI_aug-cc-pVQZ.dat
|
Add first table
|
2020-01-29 17:20:34 +01:00 |
|
water_exFCI_aug-cc-pVTZ.dat
|
Add first table
|
2020-01-29 17:20:34 +01:00 |
|
water_exp.dat
|
Rename exp and delete unnescesary files
|
2020-01-29 17:20:34 +01:00 |
