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	hartrees
Energy at 0K	-982.072742
Energy at 298.15K
HF Energy	-982.072742
Nuclear repulsion energy	338.639784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3951	3574	0.00
2	A_g	3803	3439	0.00
3	A_g	1829	1654	0.00
4	A_g	1548	1400	0.00
5	A_g	1483	1341	0.00
6	A_g	1052	951	0.00
7	A_g	714	646	0.00
8	A_g	450	407	0.00
9	A_g	353	319	0.00
10	A_u	709	641	0.76
11	A_u	647	585	506.59
12	A_u	425	384	29.31
13	A_u	25i	23i	16.67
14	B_g	790	714	0.00
15	B_g	706	638	0.00
16	B_g	614	555	0.00
17	B_u	3953	3575	204.61
18	B_u	3807	3443	278.95
19	B_u	1806	1633	498.97
20	B_u	1518	1373	635.54
21	B_u	1358	1228	256.31
22	B_u	912	825	201.80
23	B_u	504	456	0.65
24	B_u	300	271	26.83

Atom	x (Å)	y (Å)
C1	-0.053	0.769
C2	0.053	-0.769
S3	1.284	1.749
S4	-1.284	-1.749
N5	-1.284	1.219
N6	1.284	-1.219
H7	-2.054	0.590
H8	-1.442	2.198
H9	2.054	-0.590
H10	1.442	-2.198

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5422	1.6573	2.8023	1.3098	2.3960	2.0088	1.9925	2.5081	3.3228
C2	1.5422		2.8023	1.6573	2.3960	1.3098	2.5081	3.3228	2.0088	1.9925
S3	1.6573	2.8023		4.3383	2.6212	2.9676	3.5331	2.7626	2.4626	3.9497
S4	2.8023	1.6573	4.3383		2.9676	2.6212	2.4626	3.9497	3.5331	2.7626
N5	1.3098	2.3960	2.6212	2.9676		3.5403	0.9946	0.9916	3.7966	4.3710
N6	2.3960	1.3098	2.9676	2.6212	3.5403		3.7966	4.3710	0.9946	0.9916
H7	2.0088	2.5081	3.5331	2.4626	0.9946	3.7966		1.7201	4.2747	4.4721
H8	1.9925	3.3228	2.7626	3.9497	0.9916	4.3710	1.7201		4.4721	5.2577
H9	2.5081	2.0088	2.4626	3.5331	3.7966	0.9946	4.2747	4.4721		1.7201
H10	3.3228	1.9925	3.9497	2.7626	4.3710	0.9916	4.4721	5.2577	1.7201

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.254	C1	C2	N6	114.052
C1	N5	H7	120.709	C1	N5	H8	119.294
C2	C1	S3	122.254	C2	C1	N5	114.052
C2	N6	H9	120.709	C2	N6	H10	119.294
S3	C1	N5	123.694	S4	C2	N6	123.694
H7	N5	H8	119.997	H9	N6	H10	119.997

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: HF/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	0.188
2	C	0.188
3	S	-0.231
4	S	-0.231
5	N	-0.831
6	N	-0.831
7	H	0.448
8	H	0.427
9	H	0.448
10	H	0.427

	x	y	z
x	14.006	3.487	0.000
y	3.487	12.094	0.000
z	0.000	0.000	4.371

<r²>	256.770
(<r²>)^1/2	16.024

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)