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	hartrees
Energy at 0K	-983.015349
Energy at 298.15K
HF Energy	-982.093877
Nuclear repulsion energy	337.682486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3751	3556	0.00
2	A_g	3575	3389	0.00
3	A_g	1668	1581	0.00
4	A_g	1449	1374	0.00
5	A_g	1367	1296	0.00
6	A_g	978	927	0.00
7	A_g	691	655	0.00
8	A_g	421	399	0.00
9	A_g	341	323	0.00
10	A_u	630	597	1.95
11	A_u	356	337	117.42
12	A_u	263	249	239.27
13	A_u	107i	101i	3.16
14	B_g	635	602	0.00
15	B_g	606	575	0.00
16	B_g	258	244	0.00
17	B_u	3752	3557	195.63
18	B_u	3582	3396	264.68
19	B_u	1635	1550	521.98
20	B_u	1440	1366	525.83
21	B_u	1257	1192	127.45
22	B_u	897	850	78.05
23	B_u	469	444	0.33
24	B_u	284	269	23.76

Atom	x (Å)	y (Å)
C1	-0.047	0.765
C2	0.047	-0.765
S3	1.296	1.740
S4	-1.296	-1.740
N5	-1.296	1.217
N6	1.296	-1.217
H7	-2.058	0.554
H8	-1.465	2.207
H9	2.058	-0.554
H10	1.465	-2.207

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5326	1.6596	2.7986	1.3282	2.3940	2.0222	2.0225	2.4844	3.3344
C2	1.5326		2.7986	1.6596	2.3940	1.3282	2.4844	3.3344	2.0222	2.0225
S3	1.6596	2.7986		4.3386	2.6443	2.9564	3.5576	2.8006	2.4170	3.9500
S4	2.7986	1.6596	4.3386		2.9564	2.6443	2.4170	3.9500	3.5576	2.8006
N5	1.3282	2.3940	2.6443	2.9564		3.5555	1.0100	1.0044	3.7931	4.3985
N6	2.3940	1.3282	2.9564	2.6443	3.5555		3.7931	4.3985	1.0100	1.0044
H7	2.0222	2.4844	3.5576	2.4170	1.0100	3.7931		1.7559	4.2631	4.4764
H8	2.0225	3.3344	2.8006	3.9500	1.0044	4.3985	1.7559		4.4764	5.2980
H9	2.4844	2.0222	2.4170	3.5576	3.7931	1.0100	4.2631	4.4764		1.7559
H10	3.3344	2.0225	3.9500	2.8006	4.3985	1.0044	4.4764	5.2980	1.7559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.444	C1	C2	N6	113.419
C1	N5	H7	119.099	C1	N5	H8	119.597
C2	C1	S3	122.444	C2	C1	N5	113.419
C2	N6	H9	119.099	C2	N6	H10	119.597
S3	C1	N5	124.137	S4	C2	N6	124.137
H7	N5	H8	121.304	H9	N6	H10	121.304

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: CCD/TZVP

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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All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: CCD/TZVP

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)