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	hartrees
Energy at 0K	-984.035100
Energy at 298.15K	-984.041165
HF Energy	-983.736392
Nuclear repulsion energy	336.808221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3735	3735	0.00
2	A_g	3525	3525	0.00
3	A_g	1659	1659	0.00
4	A_g	1456	1456	0.00
5	A_g	1342	1342	0.00
6	A_g	960	960	0.00
7	A_g	683	683	0.00
8	A_g	423	423	0.00
9	A_g	338	338	0.00
10	A_u	667	667	10.57
11	A_u	516	516	349.78
12	A_u	389	389	49.54
13	A_u	44	44	8.02
14	B_g	718	718	0.00
15	B_g	659	659	0.00
16	B_g	491	491	0.00
17	B_u	3737	3737	212.76
18	B_u	3532	3532	231.94
19	B_u	1621	1621	482.38
20	B_u	1448	1448	257.17
21	B_u	1248	1248	113.98
22	B_u	877	877	49.46
23	B_u	461	461	0.89
24	B_u	284	284	27.10

Atom	x (Å)	y (Å)
C1	-0.047	0.764
C2	0.047	-0.764
S3	1.300	1.746
S4	-1.300	-1.746
N5	-1.300	1.215
N6	1.300	-1.215
H7	-2.059	0.542
H8	-1.472	2.207
H9	2.059	-0.542
H10	1.472	-2.207

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5309	1.6674	2.8053	1.3316	2.3944	2.0238	2.0276	2.4782	3.3368
C2	1.5309		2.8053	1.6674	2.3944	1.3316	2.4782	3.3368	2.0238	2.0276
S3	1.6674	2.8053		4.3538	2.6539	2.9613	3.5684	2.8099	2.4104	3.9568
S4	2.8053	1.6674	4.3538		2.9613	2.6539	2.4104	3.9568	3.5684	2.8099
N5	1.3316	2.3944	2.6539	2.9613		3.5593	1.0145	1.0066	3.7908	4.4040
N6	2.3944	1.3316	2.9613	2.6539	3.5593		3.7908	4.4040	1.0145	1.0066
H7	2.0238	2.4782	3.5684	2.4104	1.0145	3.7908		1.7658	4.2580	4.4745
H8	2.0276	3.3368	2.8099	3.9568	1.0066	4.4040	1.7658		4.4745	5.3055
H9	2.4782	2.0238	2.4104	3.5684	3.7908	1.0145	4.2580	4.4745		1.7658
H10	3.3368	2.0276	3.9568	2.8099	4.4040	1.0066	4.4745	5.3055	1.7658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.541	C1	C2	N6	113.352
C1	N5	H7	118.602	C1	N5	H8	119.619
C2	C1	S3	122.541	C2	C1	N5	113.352
C2	N6	H9	118.602	C2	N6	H10	119.619
S3	C1	N5	124.106	S4	C2	N6	124.106
H7	N5	H8	121.779	H9	N6	H10	121.779

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-31G**

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)