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	hartrees
Energy at 0K	-981.573248
Energy at 298.15K	-981.579401
HF Energy	-981.573248
Nuclear repulsion energy	340.813925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3573	3539	0.00
2	A_g	3217	3187	0.00
3	A_g	1579	1565	0.00
4	A_g	1370	1357	0.00
5	A_g	1295	1283	0.00
6	A_g	926	917	0.00
7	A_g	689	683	0.00
8	A_g	406	402	0.00
9	A_g	335	331	0.00
10	A_u	707	700	27.93
11	A_u	538	533	164.84
12	A_u	380	377	57.31
13	A_u	68	68	5.30
14	B_g	734	727	0.00
15	B_g	672	666	0.00
16	B_g	514	509	0.00
17	B_u	3575	3541	219.53
18	B_u	3230	3199	357.24
19	B_u	1528	1514	503.38
20	B_u	1394	1381	260.13
21	B_u	1195	1184	99.52
22	B_u	872	864	31.31
23	B_u	436	432	2.84
24	B_u	291	288	30.79

Atom	x (Å)	y (Å)
C1	-0.052	0.753
C2	0.052	-0.753
S3	1.297	1.709
S4	-1.297	-1.709
N5	-1.297	1.182
N6	1.297	-1.182
H7	-2.023	0.443
H8	-1.500	2.177
H9	2.023	-0.443
H10	1.500	-2.177

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5093	1.6534	2.7592	1.3178	2.3590	1.9953	2.0315	2.3945	3.3155
C2	1.5093		2.7592	1.6534	2.3590	1.3178	2.3945	3.3155	1.9953	2.0315
S3	1.6534	2.7592		4.2914	2.6477	2.8914	3.5532	2.8367	2.2713	3.8912
S4	2.7592	1.6534	4.2914		2.8914	2.6477	2.2713	3.8912	3.5532	2.8367
N5	1.3178	2.3590	2.6477	2.8914		3.5106	1.0355	1.0151	3.6967	4.3718
N6	2.3590	1.3178	2.8914	2.6477	3.5106		3.6967	4.3718	1.0355	1.0151
H7	1.9953	2.3945	3.5532	2.2713	1.0355	3.6967		1.8105	4.1414	4.3907
H8	2.0315	3.3155	2.8367	3.8912	1.0151	4.3718	1.8105		4.3907	5.2878
H9	2.3945	1.9953	2.2713	3.5532	3.6967	1.0355	4.1414	4.3907		1.8105
H10	3.3155	2.0315	3.8912	2.8367	4.3718	1.0151	4.3907	5.2878	1.8105

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	121.413	C1	C2	N6	112.939
C1	N5	H7	115.443	C1	N5	H8	120.560
C2	C1	S3	121.413	C2	C1	N5	112.939
C2	N6	H9	115.443	C2	N6	H10	120.560
S3	C1	N5	125.649	S4	C2	N6	125.649
H7	N5	H8	123.997	H9	N6	H10	123.997

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: LSDA/aug-cc-pVTZ

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	0.483
2	C	0.483
3	S	-0.423
4	S	-0.423
5	N	-0.211
6	N	-0.211
7	H	0.114
8	H	0.037
9	H	0.114
10	H	0.037

	x	y	z
x	16.631	2.544	0.000
y	2.544	16.074	0.000
z	0.000	0.000	8.583

<r²>	250.964
(<r²>)^1/2	15.842

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: LSDA/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)