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	hartrees
Energy at 0K	-984.343561
Energy at 298.15K	-984.349621
HF Energy	-984.343561
Nuclear repulsion energy	337.154505

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3699	3539	0.00
2	A_g	3484	3333	0.00
3	A_g	1659	1587	0.00
4	A_g	1459	1396	0.00
5	A_g	1338	1280	0.00
6	A_g	955	914	0.00
7	A_g	684	655	0.00
8	A_g	418	400	0.00
9	A_g	337	322	0.00
10	A_u	671	642	16.46
11	A_u	527	504	361.04
12	A_u	388	371	55.50
13	A_u	49	47	8.51
14	B_g	723	691	0.00
15	B_g	661	632	0.00
16	B_g	498	477	0.00
17	B_u	3701	3540	202.84
18	B_u	3490	3339	217.52
19	B_u	1620	1550	528.29
20	B_u	1456	1393	232.52
21	B_u	1245	1191	132.86
22	B_u	878	840	58.13
23	B_u	458	438	1.09
24	B_u	282	270	29.39

Atom	x (Å)	y (Å)
C1	-0.048	0.764
C2	0.048	-0.764
S3	1.298	1.744
S4	-1.298	-1.744
N5	-1.298	1.213
N6	1.298	-1.213
H7	-2.061	0.538
H8	-1.476	2.207
H9	2.061	-0.538
H10	1.476	-2.207

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5305	1.6655	2.8017	1.3282	2.3921	2.0250	2.0300	2.4786	3.3389
C2	1.5305		2.8017	1.6655	2.3921	1.3282	2.4786	3.3389	2.0250	2.0300
S3	1.6655	2.8017		4.3480	2.6500	2.9572	3.5689	2.8126	2.4060	3.9547
S4	2.8017	1.6655	4.3480		2.9572	2.6500	2.4060	3.9547	3.5689	2.8126
N5	1.3282	2.3921	2.6500	2.9572		3.5538	1.0187	1.0094	3.7882	4.4039
N6	2.3921	1.3282	2.9572	2.6500	3.5538		3.7882	4.4039	1.0187	1.0094
H7	2.0250	2.4786	3.5689	2.4060	1.0187	3.7882		1.7684	4.2599	4.4771
H8	2.0300	3.3389	2.8126	3.9547	1.0094	4.4039	1.7684		4.4771	5.3100
H9	2.4786	2.0250	2.4060	3.5689	3.7882	1.0187	4.2599	4.4771		1.7684
H10	3.3389	2.0300	3.9547	2.8126	4.4039	1.0094	4.4771	5.3100	1.7684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.421	C1	C2	N6	113.415
C1	N5	H7	118.691	C1	N5	H8	119.934
C2	C1	S3	122.421	C2	C1	N5	113.415
C2	N6	H9	118.691	C2	N6	H10	119.934
S3	C1	N5	124.164	S4	C2	N6	124.164
H7	N5	H8	121.375	H9	N6	H10	121.375

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: B3PW91/6-31G*

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	0.130
2	C	0.130
3	S	-0.206
4	S	-0.206
5	N	-0.702
6	N	-0.702
7	H	0.392
8	H	0.386
9	H	0.392
10	H	0.386

	x	y	z
x	14.049	3.194	0.000
y	3.194	12.521	0.000
z	0.000	0.000	4.531

<r²>	256.340
(<r²>)^1/2	16.011

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)