mirror of
https://github.com/pfloos/quack
synced 2024-11-08 23:23:59 +01:00
9 lines
456 B
Plaintext
9 lines
456 B
Plaintext
|
7
|
||
|
|
Cyclopropene,^1A_1,CC3,aug-cc-pVTZ
|
||
|
|
C 0.00000000 0.00000000 -0.88277808
|
||
|
|
C 0.00000000 0.64836859 0.47986540
|
||
|
|
C 0.00000000 -0.64836859 0.47986540
|
||
|
|
H 0.91153656 0.00000000 -1.47048371
|
||
|
|
H -0.91153656 0.00000000 -1.47048371
|
||
|
|
H 0.00000000 1.57612532 1.01642650
|
||
|
|
H 0.00000000 -1.57612532 1.01642650
|