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	hartrees
Energy at 0K	-983.064822
Energy at 298.15K	-983.070664
HF Energy	-982.063191
Nuclear repulsion energy	333.787244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3682	3597
2	A_g	3513	3432
3	A_g	1659	1621
4	A_g	1456	1422
5	A_g	1341	1310
6	A_g	961	939
7	A_g	675	659
8	A_g	425	416
9	A_g	339	332
10	A_u	645	630
11	A_u	453	442
12	A_u	380	371
13	A_u	18	17
14	B_g	694	678
15	B_g	640	625
16	B_g	421	411
17	B_u	3684	3599
18	B_u	3518	3437
19	B_u	1624	1587
20	B_u	1445	1411
21	B_u	1243	1214
22	B_u	879	859
23	B_u	462	451
24	B_u	286	280

Atom	x (Å)	y (Å)
C1	-0.046	0.769
C2	0.046	-0.769
S3	1.315	1.758
S4	-1.315	-1.758
N5	-1.315	1.226
N6	1.315	-1.226
H7	-2.077	0.545
H8	-1.487	2.225
H9	2.077	-0.545
H10	1.487	-2.225

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5407	1.6822	2.8276	1.3486	2.4146	2.0430	2.0483	2.4962	3.3633
C2	1.5407		2.8276	1.6822	2.4146	1.3486	2.4962	3.3633	2.0430	2.0483
S3	1.6822	2.8276		4.3905	2.6832	2.9834	3.6020	2.8404	2.4253	3.9864
S4	2.8276	1.6822	4.3905		2.9834	2.6832	2.4253	3.9864	3.6020	2.8404
N5	1.3486	2.4146	2.6832	2.9834		3.5950	1.0216	1.0139	3.8257	4.4446
N6	2.4146	1.3486	2.9834	2.6832	3.5950		3.8257	4.4446	1.0216	1.0139
H7	2.0430	2.4962	3.6020	2.4253	1.0216	3.8257		1.7806	4.2937	4.5131
H8	2.0483	3.3633	2.8404	3.9864	1.0139	4.4446	1.7806		4.5131	5.3517
H9	2.4962	2.0430	2.4253	3.6020	3.8257	1.0216	4.2937	4.5131		1.7806
H10	3.3633	2.0483	3.9864	2.8404	4.4446	1.0139	4.5131	5.3517	1.7806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.584	C1	C2	N6	113.208
C1	N5	H7	118.421	C1	N5	H8	119.548
C2	C1	S3	122.584	C2	C1	N5	113.208
C2	N6	H9	118.421	C2	N6	H10	119.548
S3	C1	N5	124.208	S4	C2	N6	124.208
H7	N5	H8	122.031	H9	N6	H10	122.031

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP4/aug-cc-pVDZ

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: MP4/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)