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	hartrees
Energy at 0K	-983.153658
Energy at 298.15K
HF Energy	-982.093717
Nuclear repulsion energy	337.207998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3736	3540	0.00
2	A_g	3556	3370	0.00
3	A_g	1660	1573	0.00
4	A_g	1448	1372	0.00
5	A_g	1364	1292	0.00
6	A_g	971	920	0.00
7	A_g	686	650	0.00
8	A_g	419	397	0.00
9	A_g	338	320	0.00
10	A_u	633	599	2.09
11	A_u	356	338	128.61
12	A_u	280	266	225.87
13	A_u	100i	95i	1.35
14	B_g	638	605	0.00
15	B_g	613	581	0.00
16	B_g	280	265	0.00
17	B_u	3737	3541	196.34
18	B_u	3564	3376	258.84
19	B_u	1628	1543	493.98
20	B_u	1436	1361	450.59
21	B_u	1252	1186	122.38
22	B_u	881	835	68.29
23	B_u	465	441	0.42
24	B_u	282	267	23.84

Atom	x (Å)	y (Å)
C1	-0.048	0.765
C2	0.048	-0.765
S3	1.298	1.744
S4	-1.298	-1.744
N5	-1.298	1.215
N6	1.298	-1.215
H7	-2.059	0.549
H8	-1.469	2.205
H9	2.059	-0.549
H10	1.469	-2.205

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5323	1.6648	2.8031	1.3284	2.3937	2.0224	2.0230	2.4833	3.3346
C2	1.5323		2.8031	1.6648	2.3937	1.3284	2.4833	3.3346	2.0224	2.0230
S3	1.6648	2.8031		4.3485	2.6493	2.9591	3.5633	2.8045	2.4167	3.9532
S4	2.8031	1.6648	4.3485		2.9591	2.6493	2.4167	3.9532	3.5633	2.8045
N5	1.3284	2.3937	2.6493	2.9591		3.5554	1.0110	1.0049	3.7923	4.3987
N6	2.3937	1.3284	2.9591	2.6493	3.5554		3.7923	4.3987	1.0110	1.0049
H7	2.0224	2.4833	3.5633	2.4167	1.0110	3.7923		1.7579	4.2622	4.4756
H8	2.0230	3.3346	2.8045	3.9532	1.0049	4.3987	1.7579		4.4756	5.2987
H9	2.4833	2.0224	2.4167	3.5633	3.7923	1.0110	4.2622	4.4756		1.7579
H10	3.3346	2.0230	3.9532	2.8045	4.3987	1.0049	4.4756	5.2987	1.7579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.449	C1	C2	N6	113.407
C1	N5	H7	119.034	C1	N5	H8	119.580
C2	C1	S3	122.449	C2	C1	N5	113.407
C2	N6	H9	119.034	C2	N6	H10	119.580
S3	C1	N5	124.144	S4	C2	N6	124.144
H7	N5	H8	121.386	H9	N6	H10	121.386

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: CCSD=FULL/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: CCSD=FULL/TZVP

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)