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	hartrees
Energy at 0K	-983.325034
Energy at 298.15K	-983.317646
HF Energy	-981.987776
Nuclear repulsion energy	338.193820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3937	3937	0.00
2	A_g	3788	3788	0.00
3	A_g	1829	1829	0.00
4	A_g	1556	1556	0.00
5	A_g	1482	1482	0.00
6	A_g	1055	1055	0.00
7	A_g	714	714	0.00
8	A_g	452	452	0.00
9	A_g	353	353	0.00
10	A_u	713	713	2.97
11	A_u	661	661	518.96
12	A_u	429	429	24.11
13	A_u	6	6	16.41
14	B_g	796	796	0.00
15	B_g	711	711	0.00
16	B_g	629	629	0.00
17	B_u	3938	3938	241.29
18	B_u	3793	3793	291.11
19	B_u	1804	1804	540.95
20	B_u	1531	1531	584.36
21	B_u	1357	1357	222.20
22	B_u	913	913	184.14
23	B_u	502	502	1.09
24	B_u	304	304	27.84

Atom	x (Å)	y (Å)
C1	-0.053	0.771
C2	0.053	-0.771
S3	1.280	1.760
S4	-1.280	-1.760
N5	-1.280	1.232
N6	1.280	-1.232
H7	-2.050	0.600
H8	-1.424	2.213
H9	2.050	-0.600
H10	1.424	-2.213

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5463	1.6592	2.8125	1.3102	2.4060	2.0040	1.9893	2.5102	3.3297
C2	1.5463		2.8125	1.6592	2.4060	1.3102	2.5102	3.3297	2.0040	1.9893
S3	1.6592	2.8125		4.3515	2.6132	2.9914	3.5256	2.7413	2.4817	3.9751
S4	2.8125	1.6592	4.3515		2.9914	2.6132	2.4817	3.9751	3.5256	2.7413
N5	1.3102	2.4060	2.6132	2.9914		3.5524	0.9963	0.9916	3.7998	4.3789
N6	2.4060	1.3102	2.9914	2.6132	3.5524		3.7998	4.3789	0.9963	0.9916
H7	2.0040	2.5102	3.5256	2.4817	0.9963	3.7998		1.7304	4.2711	4.4694
H8	1.9893	3.3297	2.7413	3.9751	0.9916	4.3789	1.7304		4.4694	5.2628
H9	2.5102	2.0040	2.4817	3.5256	3.7998	0.9963	4.2711	4.4694		1.7304
H10	3.3297	1.9893	3.9751	2.7413	4.3789	0.9916	4.4694	5.2628	1.7304

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.622	C1	C2	N6	114.515
C1	N5	H7	120.036	C1	N5	H8	118.943
C2	C1	S3	122.622	C2	C1	N5	114.515
C2	N6	H9	120.036	C2	N6	H10	118.943
S3	C1	N5	122.863	S4	C2	N6	122.863
H7	N5	H8	121.021	H9	N6	H10	121.021

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)