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	hartrees
Energy at 0K	-981.986942
Energy at 298.15K
HF Energy	-981.986942
Nuclear repulsion energy	338.356461

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3929	3530	0.00
2	A_g	3778	3395	0.00
3	A_g	1821	1636	0.00
4	A_g	1561	1402	0.00
5	A_g	1483	1332	0.00
6	A_g	1054	947	0.00
7	A_g	717	644	0.00
8	A_g	454	408	0.00
9	A_g	355	319	0.00
10	A_u	711	639	0.45
11	A_u	644	579	507.43
12	A_u	428	384	25.92
13	A_u	11i	10i	16.00
14	B_g	793	713	0.00
15	B_g	708	636	0.00
16	B_g	613	551	0.00
17	B_u	3930	3531	249.85
18	B_u	3784	3400	302.47
19	B_u	1794	1612	547.13
20	B_u	1537	1381	567.44
21	B_u	1357	1219	222.45
22	B_u	913	820	185.76
23	B_u	504	453	1.04
24	B_u	305	274	27.61

Atom	x (Å)	y (Å)
C1	-0.054	0.769
C2	0.054	-0.769
S3	1.284	1.750
S4	-1.284	-1.750
N5	-1.284	1.218
N6	1.284	-1.218
H7	-2.058	0.586
H8	-1.444	2.201
H9	2.058	-0.586
H10	1.444	-2.201

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5413	1.6595	2.8037	1.3104	2.3956	2.0125	1.9961	2.5085	3.3260
C2	1.5413		2.8037	1.6595	2.3956	1.3104	2.5085	3.3260	2.0125	1.9961
S3	1.6595	2.8037		4.3422	2.6234	2.9687	3.5394	2.7652	2.4607	3.9548
S4	2.8037	1.6595	4.3422		2.9687	2.6234	2.4607	3.9548	3.5394	2.7652
N5	1.3104	2.3956	2.6234	2.9687		3.5407	0.9992	0.9957	3.7980	4.3744
N6	2.3956	1.3104	2.9687	2.6234	3.5407		3.7980	4.3744	0.9992	0.9957
H7	2.0125	2.5085	3.5394	2.4607	0.9992	3.7980		1.7283	4.2790	4.4752
H8	1.9961	3.3260	2.7652	3.9548	0.9957	4.3744	1.7283		4.4752	5.2648
H9	2.5085	2.0125	2.4607	3.5394	3.7980	0.9992	4.2790	4.4752		1.7283
H10	3.3260	1.9961	3.9548	2.7652	4.3744	0.9957	4.4752	5.2648	1.7283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.275	C1	C2	N6	114.053
C1	N5	H7	120.651	C1	N5	H8	119.269
C2	C1	S3	122.275	C2	C1	N5	114.053
C2	N6	H9	120.651	C2	N6	H10	119.269
S3	C1	N5	123.672	S4	C2	N6	123.672
H7	N5	H8	120.080	H9	N6	H10	120.080

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: HF/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	0.196
2	C	0.196
3	S	-0.259
4	S	-0.259
5	N	-0.812
6	N	-0.812
7	H	0.448
8	H	0.428
9	H	0.448
10	H	0.428

	x	y	z
x	13.454	3.278	0.000
y	3.278	11.162	0.000
z	0.000	0.000	4.487

<r²>	256.632
(<r²>)^1/2	16.020

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)