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	hartrees
Energy at 0K	-984.378769
Energy at 298.15K	-984.384869
HF Energy	-984.378769
Nuclear repulsion energy	337.537017

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3721	3543	0.00
2	A_g	3512	3344	0.00
3	A_g	1656	1577	0.00
4	A_g	1451	1381	0.00
5	A_g	1349	1284	0.00
6	A_g	966	920	0.00
7	A_g	687	654	0.00
8	A_g	425	404	0.00
9	A_g	338	322	0.00
10	A_u	641	610	11.67
11	A_u	537	511	316.89
12	A_u	391	372	44.21
13	A_u	43	41	9.67
14	B_g	719	685	0.00
15	B_g	637	606	0.00
16	B_g	517	492	0.00
17	B_u	3723	3545	234.69
18	B_u	3518	3350	278.99
19	B_u	1618	1540	591.04
20	B_u	1448	1379	351.64
21	B_u	1236	1177	154.39
22	B_u	892	849	73.15
23	B_u	466	444	0.92
24	B_u	287	274	22.24

Atom	x (Å)	y (Å)
C1	-0.047	0.767
C2	0.047	-0.767
S3	1.295	1.740
S4	-1.295	-1.740
N5	-1.295	1.221
N6	1.295	-1.221
H7	-2.066	0.560
H8	-1.459	2.216
H9	2.066	-0.560
H10	1.459	-2.216

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5361	1.6577	2.7997	1.3280	2.3982	2.0296	2.0235	2.4950	3.3414
C2	1.5361		2.7997	1.6577	2.3982	1.3280	2.4950	3.3414	2.0296	2.0235
S3	1.6577	2.7997		4.3373	2.6413	2.9605	3.5621	2.7948	2.4253	3.9592
S4	2.7997	1.6577	4.3373		2.9605	2.6413	2.4253	3.9592	3.5621	2.7948
N5	1.3280	2.3982	2.6413	2.9605		3.5596	1.0158	1.0086	3.8037	4.4043
N6	2.3982	1.3280	2.9605	2.6413	3.5596		3.8037	4.4043	1.0158	1.0086
H7	2.0296	2.4950	3.5621	2.4253	1.0158	3.8037		1.7641	4.2812	4.4868
H8	2.0235	3.3414	2.7948	3.9592	1.0086	4.4043	1.7641		4.4868	5.3065
H9	2.4950	2.0296	2.4253	3.5621	3.8037	1.0158	4.2812	4.4868		1.7641
H10	3.3414	2.0235	3.9592	2.7948	4.4043	1.0086	4.4868	5.3065	1.7641

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.426	C1	C2	N6	113.522
C1	N5	H7	119.386	C1	N5	H8	119.361
C2	C1	S3	122.426	C2	C1	N5	113.522
C2	N6	H9	119.386	C2	N6	H10	119.361
S3	C1	N5	124.052	S4	C2	N6	124.052
H7	N5	H8	121.253	H9	N6	H10	121.253

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: M06-2X/6-31+G**

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	-0.102
2	C	-0.102
3	S	-0.139
4	S	-0.139
5	N	-0.456
6	N	-0.456
7	H	0.352
8	H	0.345
9	H	0.352
10	H	0.345

	x	y	z
x	15.871	3.336	0.000
y	3.336	13.572	0.000
z	0.000	0.000	7.017

<r²>	256.615
(<r²>)^1/2	16.019

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: M06-2X/6-31+G**

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)