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	hartrees
Energy at 0K	-984.156415
Energy at 298.15K	-984.162561
HF Energy	-984.156415
Nuclear repulsion energy	338.325634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3707	3559	0.00
2	A_g	3467	3329	0.00
3	A_g	1637	1571	0.00
4	A_g	1447	1389	0.00
5	A_g	1338	1284	0.00
6	A_g	952	914	0.00
7	A_g	688	661	0.00
8	A_g	417	400	0.00
9	A_g	337	324	0.00
10	A_u	683	656	27.32
11	A_u	541	519	263.59
12	A_u	386	371	45.74
13	A_u	46	45	7.67
14	B_g	727	698	0.00
15	B_g	666	639	0.00
16	B_g	521	500	0.00
17	B_u	3709	3561	220.62
18	B_u	3475	3336	243.91
19	B_u	1597	1533	548.37
20	B_u	1444	1386	265.46
21	B_u	1244	1194	129.99
22	B_u	881	846	55.02
23	B_u	458	440	1.27
24	B_u	284	273	28.83

Atom	x (Å)	y (Å)
C1	-0.051	0.761
C2	0.051	-0.761
S3	1.297	1.736
S4	-1.297	-1.736
N5	-1.297	1.205
N6	1.297	-1.205
H7	-2.047	0.519
H8	-1.477	2.194
H9	2.047	-0.519
H10	1.477	-2.194

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5254	1.6635	2.7898	1.3220	2.3835	2.0104	2.0212	2.4580	3.3266
C2	1.5254		2.7898	1.6635	2.3835	1.3220	2.4580	3.3266	2.0104	2.0212
S3	1.6635	2.7898		4.3329	2.6472	2.9401	3.5584	2.8115	2.3759	3.9333
S4	2.7898	1.6635	4.3329		2.9401	2.6472	2.3759	3.9333	3.5584	2.8115
N5	1.3220	2.3835	2.6472	2.9401		3.5398	1.0166	1.0054	3.7619	4.3866
N6	2.3835	1.3220	2.9401	2.6472	3.5398		3.7619	4.3866	1.0166	1.0054
H7	2.0104	2.4580	3.5584	2.3759	1.0166	3.7619		1.7692	4.2237	4.4473
H8	2.0212	3.3266	2.8115	3.9333	1.0054	4.3866	1.7692		4.4473	5.2893
H9	2.4580	2.0104	2.3759	3.5584	3.7619	1.0166	4.2237	4.4473		1.7692
H10	3.3266	2.0212	3.9333	2.8115	4.3866	1.0054	4.4473	5.2893	1.7692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	121.999	C1	C2	N6	113.473
C1	N5	H7	117.968	C1	N5	H8	119.947
C2	C1	S3	121.999	C2	C1	N5	113.473
C2	N6	H9	117.968	C2	N6	H10	119.947
S3	C1	N5	124.528	S4	C2	N6	124.528
H7	N5	H8	122.085	H9	N6	H10	122.085

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	C	-0.011
2	C	-0.011
3	S	-0.248
4	S	-0.248
5	N	-0.256
6	N	-0.256
7	H	0.252
8	H	0.263
9	H	0.252
10	H	0.263

	x	y	z
x	15.169	3.083	0.000
y	3.083	13.237	0.000
z	0.000	0.000	5.964

<r²>	255.043
(<r²>)^1/2	15.970

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: HSEh1PBE/TZVP

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)