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	hartrees
Energy at 0K	-984.401812
Energy at 298.15K	-984.407635
HF Energy	-984.401812
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3617	3546	0.00
2	A_g	3393	3327	0.00
3	A_g	1618	1586	0.00
4	A_g	1417	1389	0.00
5	A_g	1296	1271	0.00
6	A_g	923	904	0.00
7	A_g	666	653	0.00
8	A_g	413	405	0.00
9	A_g	330	324	0.00
10	A_u	650	637	10.17
11	A_u	465	456	302.56
12	A_u	369	362	90.65
13	A_u	38	37	6.28
14	B_g	693	680	0.00
15	B_g	641	628	0.00
16	B_g	431	423	0.00
17	B_u	3619	3549	163.72
18	B_u	3397	3331	181.51
19	B_u	1583	1552	452.21
20	B_u	1408	1380	202.38
21	B_u	1220	1196	112.15
22	B_u	852	835	47.76
23	B_u	452	443	0.97
24	B_u	277	272	27.96

Atom	x (Å)	y (Å)
C1	-0.047	0.766
C2	0.047	-0.766
S3	1.305	1.755
S4	-1.305	-1.755
N5	-1.305	1.223
N6	1.305	-1.223
H7	-2.073	0.548
H8	-1.477	2.221
H9	2.073	-0.548
H10	1.477	-2.221

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5343	1.6750	2.8170	1.3384	2.4048	2.0371	2.0404	2.4937	3.3532
C2	1.5343		2.8170	1.6750	2.4048	1.3384	2.4937	3.3532	2.0371	2.0404
S3	1.6750	2.8170		4.3735	2.6630	2.9781	3.5863	2.8206	2.4277	3.9797
S4	2.8170	1.6750	4.3735		2.9781	2.6630	2.4277	3.9797	3.5863	2.8206
N5	1.3384	2.4048	2.6630	2.9781		3.5770	1.0224	1.0126	3.8136	4.4274
N6	2.4048	1.3384	2.9781	2.6630	3.5770		3.8136	4.4274	1.0224	1.0126
H7	2.0371	2.4937	3.5863	2.4277	1.0224	3.8136		1.7757	4.2876	4.5021
H8	2.0404	3.3532	2.8206	3.9797	1.0126	4.4274	1.7757		4.5021	5.3348
H9	2.4937	2.0371	2.4277	3.5863	3.8136	1.0224	4.2876	4.5021		1.7757
H10	3.3532	2.0404	3.9797	2.8206	4.4274	1.0126	4.5021	5.3348	1.7757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.484	C1	C2	N6	113.663
C1	N5	H7	118.363	C1	N5	H8	119.800
C2	C1	S3	122.484	C2	C1	N5	113.663
C2	N6	H9	118.363	C2	N6	H10	119.800
S3	C1	N5	123.853	S4	C2	N6	123.853
H7	N5	H8	121.837	H9	N6	H10	121.837

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: B97D3/6-31G*

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	0.137
2	C	0.137
3	S	-0.214
4	S	-0.214
5	N	-0.654
6	N	-0.654
7	H	0.368
8	H	0.364
9	H	0.368
10	H	0.364

	x	y	z
x	14.230	3.186	0.000
y	3.186	13.144	0.000
z	0.000	0.000	4.538

<r²>	258.862
(<r²>)^1/2	16.089

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)