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	hartrees
Energy at 0K	-984.630722
Energy at 298.15K	-984.636770
HF Energy	-984.630722
Nuclear repulsion energy	337.016169

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3664	3664	0.00
2	A_g	3421	3421	0.00
3	A_g	1627	1627	0.00
4	A_g	1431	1431	0.00
5	A_g	1319	1319	0.00
6	A_g	937	937	0.00
7	A_g	676	676	0.00
8	A_g	409	409	0.00
9	A_g	332	332	0.00
10	A_u	673	673	16.45
11	A_u	515	515	311.35
12	A_u	382	382	50.34
13	A_u	49	49	8.65
14	B_g	716	716	0.00
15	B_g	656	656	0.00
16	B_g	492	492	0.00
17	B_u	3666	3666	189.08
18	B_u	3427	3427	238.05
19	B_u	1592	1592	472.52
20	B_u	1425	1425	271.63
21	B_u	1232	1232	136.94
22	B_u	865	865	55.96
23	B_u	448	448	1.65
24	B_u	280	280	29.90

Atom	x (Å)	y (Å)
C1	-0.049	0.764
C2	0.049	-0.764
S3	1.303	1.743
S4	-1.303	-1.743
N5	-1.303	1.207
N6	1.303	-1.207
H7	-2.053	0.517
H8	-1.488	2.198
H9	2.053	-0.517
H10	1.488	-2.198

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5317	1.6685	2.8028	1.3294	2.3901	2.0193	2.0313	2.4618	3.3372
C2	1.5317		2.8028	1.6685	2.3901	1.3294	2.4618	3.3372	2.0193	2.0313
S3	1.6685	2.8028		4.3512	2.6596	2.9496	3.5725	2.8277	2.3809	3.9448
S4	2.8028	1.6685	4.3512		2.9496	2.6596	2.3809	3.9448	3.5725	2.8277
N5	1.3294	2.3901	2.6596	2.9496		3.5515	1.0195	1.0081	3.7725	4.4024
N6	2.3901	1.3294	2.9496	2.6596	3.5515		3.7725	4.4024	1.0195	1.0081
H7	2.0193	2.4618	3.5725	2.3809	1.0195	3.7725		1.7732	4.2343	4.4621
H8	2.0313	3.3372	2.8277	3.9448	1.0081	4.4024	1.7732		4.4621	5.3085
H9	2.4618	2.0193	2.3809	3.5725	3.7725	1.0195	4.2343	4.4621		1.7732
H10	3.3372	2.0313	3.9448	2.8277	4.4024	1.0081	4.4621	5.3085	1.7732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.228	C1	C2	N6	113.121
C1	N5	H7	117.954	C1	N5	H8	120.065
C2	C1	S3	122.228	C2	C1	N5	113.121
C2	N6	H9	117.954	C2	N6	H10	120.065
S3	C1	N5	124.652	S4	C2	N6	124.652
H7	N5	H8	121.980	H9	N6	H10	121.980

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: TPSSh/6-311G**

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	0.003
2	C	0.003
3	S	-0.165
4	S	-0.165
5	N	-0.371
6	N	-0.371
7	H	0.266
8	H	0.266
9	H	0.266
10	H	0.266

	x	y	z
x	14.866	3.366	0.000
y	3.366	13.835	0.000
z	0.000	0.000	4.581

<r²>	257.002
(<r²>)^1/2	16.031

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: TPSSh/6-311G**

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)