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	hartrees
Energy at 0K	-982.857549
Energy at 298.15K	-982.863528
HF Energy	-981.984583
Nuclear repulsion energy	336.122851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3708	3531	0.00
2	A_g	3549	3380	0.00
3	A_g	1683	1603	0.00
4	A_g	1474	1404	0.00
5	A_g	1377	1312	0.00
6	A_g	983	936	0.00
7	A_g	685	652	0.00
8	A_g	431	410	0.00
9	A_g	342	326	0.00
10	A_u	657	626	2.17
11	A_u	505	481	426.05
12	A_u	390	371	44.42
13	A_u	7	6	8.04
14	B_g	711	677	0.00
15	B_g	651	620	0.00
16	B_g	478	455	0.00
17	B_u	3710	3533	192.45
18	B_u	3555	3386	257.38
19	B_u	1650	1571	510.14
20	B_u	1461	1391	344.89
21	B_u	1261	1201	125.93
22	B_u	878	836	68.95
23	B_u	470	448	0.61
24	B_u	291	277	23.20

Atom	x (Å)	y (Å)
C1	-0.046	0.767
C2	0.046	-0.767
S3	1.298	1.753
S4	-1.298	-1.753
N5	-1.298	1.222
N6	1.298	-1.222
H7	-2.074	0.565
H8	-1.465	2.220
H9	2.074	-0.565
H10	1.465	-2.220

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5369	1.6670	2.8142	1.3328	2.4009	2.0381	2.0312	2.5035	3.3477
C2	1.5369		2.8142	1.6670	2.4009	1.3328	2.5035	3.3477	2.0381	2.0312
S3	1.6670	2.8142		4.3629	2.6506	2.9751	3.5754	2.8025	2.4442	3.9768
S4	2.8142	1.6670	4.3629		2.9751	2.6506	2.4442	3.9768	3.5754	2.8025
N5	1.3328	2.4009	2.6506	2.9751		3.5664	1.0164	1.0119	3.8166	4.4144
N6	2.4009	1.3328	2.9751	2.6506	3.5664		3.8166	4.4144	1.0164	1.0119
H7	2.0381	2.5035	3.5754	2.4442	1.0164	3.8166		1.7639	4.2989	4.5034
H8	2.0312	3.3477	2.8025	3.9768	1.0119	4.4144	1.7639		4.5034	5.3201
H9	2.5035	2.0381	2.4442	3.5754	3.8166	1.0164	4.2989	4.5034		1.7639
H10	3.3477	2.0312	3.9768	2.8025	4.4144	1.0119	4.5034	5.3201	1.7639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.839	C1	C2	N6	113.384
C1	N5	H7	119.748	C1	N5	H8	119.428
C2	C1	S3	122.839	C2	C1	N5	113.384
C2	N6	H9	119.748	C2	N6	H10	119.428
S3	C1	N5	123.777	S4	C2	N6	123.777
H7	N5	H8	120.823	H9	N6	H10	120.823

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: QCISD/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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All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: QCISD/6-31G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)