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	hartrees
Energy at 0K	-984.126234
Energy at 298.15K	-984.132133
HF Energy	-983.824937
Nuclear repulsion energy	336.884319

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3702	3702	0.00
2	A_g	3500	3500	0.00
3	A_g	1639	1639	0.00
4	A_g	1441	1441	0.00
5	A_g	1330	1330	0.00
6	A_g	950	950	0.00
7	A_g	678	678	0.00
8	A_g	418	418	0.00
9	A_g	335	335	0.00
10	A_u	652	652	5.93
11	A_u	459	459	315.64
12	A_u	380	380	70.13
13	A_u	21	21	6.15
14	B_g	691	691	0.00
15	B_g	644	644	0.00
16	B_g	433	433	0.00
17	B_u	3704	3704	204.86
18	B_u	3506	3506	251.98
19	B_u	1604	1604	453.28
20	B_u	1429	1429	308.70
21	B_u	1239	1239	129.27
22	B_u	873	873	53.50
23	B_u	460	460	1.27
24	B_u	279	279	25.82

Atom	x (Å)	y (Å)
C1	-0.047	0.765
C2	0.047	-0.765
S3	1.300	1.745
S4	-1.300	-1.745
N5	-1.300	1.215
N6	1.300	-1.215
H7	-2.058	0.541
H8	-1.474	2.207
H9	2.058	-0.541
H10	1.474	-2.207

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5337	1.6658	2.8054	1.3311	2.3955	2.0236	2.0277	2.4783	3.3386
C2	1.5337		2.8054	1.6658	2.3955	1.3311	2.4783	3.3386	2.0236	2.0277
S3	1.6658	2.8054		4.3518	2.6537	2.9599	3.5677	2.8119	2.4085	3.9552
S4	2.8054	1.6658	4.3518		2.9599	2.6537	2.4085	3.9552	3.5677	2.8119
N5	1.3311	2.3955	2.6537	2.9599		3.5592	1.0145	1.0066	3.7902	4.4048
N6	2.3955	1.3311	2.9599	2.6537	3.5592		3.7902	4.4048	1.0145	1.0066
H7	2.0236	2.4783	3.5677	2.4085	1.0145	3.7902		1.7651	4.2569	4.4751
H8	2.0277	3.3386	2.8119	3.9552	1.0066	4.4048	1.7651		4.4751	5.3069
H9	2.4783	2.0236	2.4085	3.5677	3.7902	1.0145	4.2569	4.4751		1.7651
H10	3.3386	2.0277	3.9552	2.8119	4.4048	1.0066	4.4751	5.3069	1.7651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.472	C1	C2	N6	113.286
C1	N5	H7	118.625	C1	N5	H8	119.668
C2	C1	S3	122.472	C2	C1	N5	113.286
C2	N6	H9	118.625	C2	N6	H10	119.668
S3	C1	N5	124.242	S4	C2	N6	124.242
H7	N5	H8	121.706	H9	N6	H10	121.706

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: B2PLYP/6-311G**

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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Number	Element	Mulliken
1	C	-0.006
2	C	-0.006
3	S	-0.157
4	S	-0.157
5	N	-0.360
6	N	-0.360
7	H	0.263
8	H	0.260
9	H	0.263
10	H	0.260

	x	y	z
x	15.091	3.509	0.000
y	3.509	13.652	0.000
z	0.000	0.000	4.554

<r²>	257.657
(<r²>)^1/2	16.052

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: B2PLYP/6-311G**

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)