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	hartrees
Energy at 0K	-984.320334
Energy at 298.15K	-984.326714
HF Energy	-984.320334
Nuclear repulsion energy	333.613433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3749	3749	0.00
2	A_g	3555	3555	0.00
3	A_g	1691	1691	0.00
4	A_g	1507	1507	0.00
5	A_g	1379	1379	0.00
6	A_g	971	971	0.00
7	A_g	682	682	0.00
8	A_g	418	418	0.00
9	A_g	334	334	0.00
10	A_u	810	810	615.95
11	A_u	657	657	4.36
12	A_u	396	396	21.22
13	A_u	55	55	17.39
14	B_g	819	819	0.00
15	B_g	708	708	0.00
16	B_g	651	651	0.00
17	B_u	3750	3750	183.02
18	B_u	3561	3561	217.62
19	B_u	1662	1662	527.80
20	B_u	1492	1492	260.42
21	B_u	1278	1278	158.83
22	B_u	844	844	75.37
23	B_u	460	460	2.29
24	B_u	273	273	31.91

Atom	x (Å)	y (Å)
C1	-0.062	0.757
C2	0.062	-0.757
S3	1.311	1.775
S4	-1.311	-1.775
N5	-1.311	1.213
N6	1.311	-1.213
H7	-2.083	0.555
H8	-1.483	2.205
H9	2.083	-0.555
H10	1.483	-2.205

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5198	1.7085	2.8237	1.3296	2.4012	2.0319	2.0286	2.5147	3.3409
C2	1.5198		2.8237	1.7085	2.4012	1.3296	2.5147	3.3409	2.0319	2.0286
S3	1.7085	2.8237		4.4130	2.6811	2.9879	3.6069	2.8263	2.4546	3.9839
S4	2.8237	1.7085	4.4130		2.9879	2.6811	2.4546	3.9839	3.6069	2.8263
N5	1.3296	2.4012	2.6811	2.9879		3.5717	1.0149	1.0071	3.8270	4.4143
N6	2.4012	1.3296	2.9879	2.6811	3.5717		3.8270	4.4143	1.0149	1.0071
H7	2.0319	2.5147	3.6069	2.4546	1.0149	3.8270		1.7563	4.3122	4.5094
H8	2.0286	3.3409	2.8263	3.9839	1.0071	4.4143	1.7563		4.5094	5.3145
H9	2.5147	2.0319	2.4546	3.6069	3.8270	1.0149	4.3122	4.5094		1.7563
H10	3.3409	2.0286	3.9839	2.8263	4.4143	1.0071	4.5094	5.3145	1.7563

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	121.901	C1	C2	N6	114.690
C1	N5	H7	119.546	C1	N5	H8	119.861
C2	C1	S3	121.901	C2	C1	N5	114.690
C2	N6	H9	119.546	C2	N6	H10	119.861
S3	C1	N5	123.409	S4	C2	N6	123.409
H7	N5	H8	120.594	H9	N6	H10	120.594

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	C	-0.024
2	C	-0.024
3	S	-0.044
4	S	-0.044
5	N	-0.701
6	N	-0.701
7	H	0.388
8	H	0.381
9	H	0.388
10	H	0.381

	x	y	z
x	14.187	3.655	0.000
y	3.655	11.860	0.000
z	0.000	0.000	3.881

<r²>	262.172
(<r²>)^1/2	16.192

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: wB97X-D/6-31G

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)