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	hartrees
Energy at 0K	-983.209063
Energy at 298.15K	-983.215112
HF Energy	-982.129285
Nuclear repulsion energy	338.800870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3709	3522	0.00
2	A_g	3484	3308	0.00
3	A_g	1631	1549	0.00
4	A_g	1439	1367	0.00
5	A_g	1331	1263	0.00
6	A_g	963	915	0.00
7	A_g	686	652	0.00
8	A_g	416	395	0.00
9	A_g	339	322	0.00
10	A_u	673	639	4.07
11	A_u	478	454	213.80
12	A_u	390	370	77.02
13	A_u	45	42	6.02
14	B_g	716	680	0.00
15	B_g	665	632	0.00
16	B_g	452	429	0.00
17	B_u	3711	3523	237.62
18	B_u	3492	3316	273.69
19	B_u	1588	1507	508.93
20	B_u	1447	1374	301.60
21	B_u	1234	1172	83.02
22	B_u	902	857	28.90
23	B_u	452	429	0.60
24	B_u	289	274	27.08

Atom	x (Å)	y (Å)
C1	-0.045	0.762
C2	0.045	-0.762
S3	1.299	1.726
S4	-1.299	-1.726
N5	-1.299	1.206
N6	1.299	-1.206
H7	-2.042	0.516
H8	-1.477	2.196
H9	2.042	-0.516
H10	1.477	-2.196

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5256	1.6535	2.7853	1.3304	2.3826	2.0120	2.0266	2.4466	3.3255
C2	1.5256		2.7853	1.6535	2.3826	1.3304	2.4466	3.3255	2.0120	2.0266
S3	1.6535	2.7853		4.3193	2.6485	2.9320	3.5524	2.8147	2.3619	3.9252
S4	2.7853	1.6535	4.3193		2.9320	2.6485	2.3619	3.9252	3.5524	2.8147
N5	1.3304	2.3826	2.6485	2.9320		3.5449	1.0141	1.0051	3.7583	4.3903
N6	2.3826	1.3304	2.9320	2.6485	3.5449		3.7583	4.3903	1.0141	1.0051
H7	2.0120	2.4466	3.5524	2.3619	1.0141	3.7583		1.7717	4.2119	4.4422
H8	2.0266	3.3255	2.8147	3.9252	1.0051	4.3903	1.7717		4.4422	5.2918
H9	2.4466	2.0120	2.3619	3.5524	3.7583	1.0141	4.2119	4.4422		1.7717
H10	3.3255	2.0266	3.9252	2.8147	4.3903	1.0051	4.4422	5.2918	1.7717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.308	C1	C2	N6	112.895
C1	N5	H7	117.589	C1	N5	H8	119.742
C2	C1	S3	122.308	C2	C1	N5	112.895
C2	N6	H9	117.589	C2	N6	H10	119.742
S3	C1	N5	124.797	S4	C2	N6	124.797
H7	N5	H8	122.669	H9	N6	H10	122.669

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP2/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: MP2/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)