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	hartrees
Energy at 0K	-983.016483
Energy at 298.15K
HF Energy	-982.093995
Nuclear repulsion energy	337.884176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3774	3529	0.00
2	A_g	3590	3357	0.00
3	A_g	1673	1564	0.00
4	A_g	1457	1363	0.00
5	A_g	1370	1281	0.00
6	A_g	979	916	0.00
7	A_g	695	650	0.00
8	A_g	422	395	0.00
9	A_g	342	320	0.00
10	A_u	634	593	2.20
11	A_u	354	331	102.53
12	A_u	245	229	246.69
13	A_u	115i	107i	7.61
14	B_g	638	596	0.00
15	B_g	603	564	0.00
16	B_g	233	218	0.00
17	B_u	3775	3530	199.91
18	B_u	3598	3365	269.39
19	B_u	1639	1533	535.64
20	B_u	1449	1355	481.95
21	B_u	1261	1179	122.63
22	B_u	900	842	71.69
23	B_u	469	438	0.36
24	B_u	284	266	24.34

Atom	x (Å)	y (Å)
C1	-0.048	0.764
C2	0.048	-0.764
S3	1.296	1.738
S4	-1.296	-1.738
N5	-1.296	1.216
N6	1.296	-1.216
H7	-2.055	0.551
H8	-1.465	2.204
H9	2.055	-0.551
H10	1.465	-2.204

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5301	1.6600	2.7956	1.3274	2.3926	2.0181	2.0206	2.4797	3.3311
C2	1.5301		2.7956	1.6600	2.3926	1.3274	2.4797	3.3311	2.0181	2.0206
S3	1.6600	2.7956		4.3359	2.6439	2.9540	3.5548	2.7998	2.4113	3.9459
S4	2.7956	1.6600	4.3359		2.9540	2.6439	2.4113	3.9459	3.5548	2.7998
N5	1.3274	2.3926	2.6439	2.9540		3.5541	1.0092	1.0026	3.7879	4.3954
N6	2.3926	1.3274	2.9540	2.6439	3.5541		3.7879	4.3954	1.0092	1.0026
H7	2.0181	2.4797	3.5548	2.4113	1.0092	3.7879		1.7556	4.2546	4.4696
H8	2.0206	3.3311	2.7998	3.9459	1.0026	4.3954	1.7556		4.4696	5.2931
H9	2.4797	2.0181	2.4113	3.5548	3.7879	1.0092	4.2546	4.4696		1.7556
H10	3.3311	2.0206	3.9459	2.7998	4.3954	1.0026	4.4696	5.2931	1.7556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.352	C1	C2	N6	113.522
C1	N5	H7	118.835	C1	N5	H8	119.622
C2	C1	S3	122.352	C2	C1	N5	113.522
C2	N6	H9	118.835	C2	N6	H10	119.622
S3	C1	N5	124.126	S4	C2	N6	124.126
H7	N5	H8	121.543	H9	N6	H10	121.543

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP3/TZVP

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: MP3/TZVP

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)