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	hartrees
Energy at 0K	-52.925367
Energy at 298.15K
HF Energy	-52.415052
Nuclear repulsion energy	111.734927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3661	3573	0.00
2	A_g	3472	3388	0.00
3	A_g	1687	1647	0.00
4	A_g	1404	1370	0.00
5	A_g	1350	1317	0.00
6	A_g	962	939	0.00
7	A_g	643	628	0.00
8	A_g	410	400	0.00
9	A_g	321	314	0.00
10	A_u	584	570	23.62
11	A_u	541	528	537.06
12	A_u	323	315	1.69
13	A_u	47i	46i	7.17
14	B_g	616	601	0.00
15	B_g	563	549	0.00
16	B_g	488	476	0.00
17	B_u	3662	3574	123.22
18	B_u	3476	3393	220.01
19	B_u	1675	1635	329.06
20	B_u	1376	1343	461.55
21	B_u	1254	1224	85.39
22	B_u	834	814	42.84
23	B_u	446	435	0.60
24	B_u	264	257	18.22

Atom	x (Å)	y (Å)
C1	-0.051	0.771
C2	0.051	-0.771
S3	1.339	1.813
S4	-1.339	-1.813
N5	-1.339	1.247
N6	1.339	-1.247
H7	-2.121	0.592
H8	-1.502	2.249
H9	2.121	-0.592
H10	1.502	-2.249

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5456	1.7374	2.8875	1.3726	2.4502	2.0778	2.0707	2.5646	3.3959
C2	1.5456		2.8875	1.7374	2.4502	1.3726	2.5646	3.3959	2.0778	2.0707
S3	1.7374	2.8875		4.5081	2.7370	3.0600	3.6694	2.8737	2.5293	4.0655
S4	2.8875	1.7374	4.5081		3.0600	2.7370	2.5293	4.0655	3.6694	2.8737
N5	1.3726	2.4502	2.7370	3.0600		3.6587	1.0202	1.0154	3.9182	4.5041
N6	2.4502	1.3726	3.0600	2.7370	3.6587		3.9182	4.5041	1.0202	1.0154
H7	2.0778	2.5646	3.6694	2.5293	1.0202	3.9182		1.7690	4.4046	4.6039
H8	2.0707	3.3959	2.8737	4.0655	1.0154	4.5041	1.7690		4.6039	5.4084
H9	2.5646	2.0778	2.5293	3.6694	3.9182	1.0202	4.4046	4.6039		1.7690
H10	3.3959	2.0707	4.0655	2.8737	4.5041	1.0154	4.6039	5.4084	1.7690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	123.063	C1	C2	N6	114.068
C1	N5	H7	119.809	C1	N5	H8	119.499
C2	C1	S3	123.063	C2	C1	N5	114.068
C2	N6	H9	119.809	C2	N6	H10	119.499
S3	C1	N5	122.870	S4	C2	N6	122.870
H7	N5	H8	120.692	H9	N6	H10	120.692

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP2/CEP-121G

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: MP2/CEP-121G

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)