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	hartrees
Energy at 0K	-984.267818
Energy at 298.15K	-984.274217
HF Energy	-984.267818
Nuclear repulsion energy	333.846697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3724	3724	0.00
2	A_g	3519	3519	0.00
3	A_g	1699	1699	0.00
4	A_g	1509	1509	0.00
5	A_g	1381	1381	0.00
6	A_g	979	979	0.00
7	A_g	684	684	0.00
8	A_g	431	431	0.00
9	A_g	338	338	0.00
10	A_u	817	817	628.38
11	A_u	648	648	1.27
12	A_u	392	392	22.27
13	A_u	46	46	16.95
14	B_g	824	824	0.00
15	B_g	708	708	0.00
16	B_g	642	642	0.00
17	B_u	3725	3725	194.49
18	B_u	3525	3525	267.35
19	B_u	1672	1672	532.80
20	B_u	1497	1497	292.81
21	B_u	1278	1278	145.09
22	B_u	839	839	85.05
23	B_u	469	469	2.50
24	B_u	289	289	24.70

Atom	x (Å)	y (Å)
C1	-0.062	0.757
C2	0.062	-0.757
S3	1.310	1.773
S4	-1.310	-1.773
N5	-1.310	1.211
N6	1.310	-1.211
H7	-2.085	0.554
H8	-1.480	2.205
H9	2.085	-0.554
H10	1.480	-2.205

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5187	1.7071	2.8211	1.3287	2.3989	2.0338	2.0274	2.5155	3.3394
C2	1.5187		2.8211	1.7071	2.3989	1.3287	2.5155	3.3394	2.0338	2.0274
S3	1.7071	2.8211		4.4090	2.6798	2.9841	3.6075	2.8234	2.4528	3.9820
S4	2.8211	1.7071	4.4090		2.9841	2.6798	2.4528	3.9820	3.6075	2.8234
N5	1.3287	2.3989	2.6798	2.9841		3.5685	1.0161	1.0086	3.8269	4.4111
N6	2.3989	1.3287	2.9841	2.6798	3.5685		3.8269	4.4111	1.0161	1.0086
H7	2.0338	2.5155	3.6075	2.4528	1.0161	3.8269		1.7587	4.3153	4.5084
H8	2.0274	3.3394	2.8234	3.9820	1.0086	4.4111	1.7587		4.5084	5.3120
H9	2.5155	2.0338	2.4528	3.6075	3.8269	1.0161	4.3153	4.5084		1.7587
H10	3.3394	2.0274	3.9820	2.8234	4.4111	1.0086	4.5084	5.3120	1.7587

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	121.878	C1	C2	N6	114.647
C1	N5	H7	119.718	C1	N5	H8	119.685
C2	C1	S3	121.878	C2	C1	N5	114.647
C2	N6	H9	119.718	C2	N6	H10	119.685
S3	C1	N5	123.475	S4	C2	N6	123.475
H7	N5	H8	120.597	H9	N6	H10	120.597

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: M06-2X/6-31G

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	-0.045
2	C	-0.045
3	S	-0.025
4	S	-0.025
5	N	-0.703
6	N	-0.703
7	H	0.392
8	H	0.381
9	H	0.392
10	H	0.381

	x	y	z
x	14.412	3.713	0.000
y	3.713	11.866	0.000
z	0.000	0.000	3.922

<r²>	261.930
(<r²>)^1/2	16.184

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: M06-2X/6-31G

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)