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	hartrees
Energy at 0K	-984.557440
Energy at 298.15K	-984.563551
HF Energy	-984.557440
Nuclear repulsion energy	338.418487

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3711	3567	0.00
2	A_g	3459	3324	0.00
3	A_g	1637	1573	0.00
4	A_g	1426	1371	0.00
5	A_g	1342	1290	0.00
6	A_g	959	922	0.00
7	A_g	690	663	0.00
8	A_g	409	393	0.00
9	A_g	335	322	0.00
10	A_u	684	658	8.50
11	A_u	522	502	246.15
12	A_u	390	375	58.69
13	A_u	54	52	7.98
14	B_g	729	701	0.00
15	B_g	667	641	0.00
16	B_g	492	472	0.00
17	B_u	3713	3569	236.09
18	B_u	3468	3333	250.27
19	B_u	1587	1525	576.92
20	B_u	1437	1381	176.99
21	B_u	1233	1185	103.61
22	B_u	887	853	45.10
23	B_u	447	430	1.12
24	B_u	284	273	30.99

Atom	x (Å)	y (Å)
C1	-0.050	0.761
C2	0.050	-0.761
S3	1.298	1.733
S4	-1.298	-1.733
N5	-1.298	1.201
N6	1.298	-1.201
H7	-2.043	0.504
H8	-1.480	2.194
H9	2.043	-0.504
H10	1.480	-2.194

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5254	1.6621	2.7890	1.3235	2.3810	2.0093	2.0244	2.4455	3.3277
C2	1.5254		2.7890	1.6621	2.3810	1.3235	2.4455	3.3277	2.0093	2.0244
S3	1.6621	2.7890		4.3308	2.6502	2.9345	3.5600	2.8163	2.3577	3.9312
S4	2.7890	1.6621	4.3308		2.9345	2.6502	2.3577	3.9312	3.5600	2.8163
N5	1.3235	2.3810	2.6502	2.9345		3.5376	1.0203	1.0090	3.7511	4.3872
N6	2.3810	1.3235	2.9345	2.6502	3.5376		3.7511	4.3872	1.0203	1.0090
H7	2.0093	2.4455	3.5600	2.3577	1.0203	3.7511		1.7811	4.2082	4.4374
H8	2.0244	3.3277	2.8163	3.9312	1.0090	4.3872	1.7811		4.4374	5.2930
H9	2.4455	2.0093	2.3577	3.5600	3.7511	1.0203	4.2082	4.4374		1.7811
H10	3.3277	2.0244	3.9312	2.8163	4.3872	1.0090	4.4374	5.2930	1.7811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.026	C1	C2	N6	113.199
C1	N5	H7	117.442	C1	N5	H8	119.828
C2	C1	S3	122.026	C2	C1	N5	113.199
C2	N6	H9	117.442	C2	N6	H10	119.828
S3	C1	N5	124.775	S4	C2	N6	124.775
H7	N5	H8	122.729	H9	N6	H10	122.729

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: B1B95/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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Number	Element	Mulliken
1	C	-0.015
2	C	-0.015
3	S	-0.235
4	S	-0.235
5	N	0.001
6	N	0.001
7	H	0.124
8	H	0.125
9	H	0.124
10	H	0.125

	x	y	z
x	13.875	2.822	0.000
y	2.822	12.186	0.000
z	0.000	0.000	4.333

<r²>	254.121
(<r²>)^1/2	15.941

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)