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	hartrees
Energy at 0K	-984.536891
Energy at 298.15K	-984.542739
HF Energy	-984.536891
Nuclear repulsion energy	333.597964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3570	3556	0.00
2	A_g	3341	3328	0.00
3	A_g	1571	1565	0.00
4	A_g	1381	1375	0.00
5	A_g	1261	1256	0.00
6	A_g	888	884	0.00
7	A_g	650	647	0.00
8	A_g	401	399	0.00
9	A_g	321	320	0.00
10	A_u	643	640	14.31
11	A_u	484	483	278.45
12	A_u	372	370	62.85
13	A_u	46	46	7.75
14	B_g	686	683	0.00
15	B_g	631	628	0.00
16	B_g	459	457	0.00
17	B_u	3572	3558	163.68
18	B_u	3346	3333	210.09
19	B_u	1541	1535	414.02
20	B_u	1366	1361	235.76
21	B_u	1198	1193	121.54
22	B_u	824	821	53.77
23	B_u	443	442	1.55
24	B_u	268	267	26.64

Atom	x (Å)	y (Å)
C1	-0.050	0.770
C2	0.050	-0.770
S3	1.312	1.766
S4	-1.312	-1.766
N5	-1.312	1.225
N6	1.312	-1.225
H7	-2.076	0.541
H8	-1.489	2.224
H9	2.076	-0.541
H10	1.489	-2.224

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5433	1.6871	2.8327	1.3410	2.4152	2.0385	2.0454	2.4974	3.3662
C2	1.5433		2.8327	1.6871	2.4152	1.3410	2.4974	3.3662	2.0385	2.0454
S3	1.6871	2.8327		4.3999	2.6784	2.9910	3.6019	2.8374	2.4305	3.9941
S4	2.8327	1.6871	4.3999		2.9910	2.6784	2.4305	3.9941	3.6019	2.8374
N5	1.3410	2.4152	2.6784	2.9910		3.5890	1.0253	1.0148	3.8198	4.4424
N6	2.4152	1.3410	2.9910	2.6784	3.5890		3.8198	4.4424	1.0253	1.0148
H7	2.0385	2.4974	3.6019	2.4305	1.0253	3.8198		1.7823	4.2899	4.5110
H8	2.0454	3.3662	2.8374	3.9941	1.0148	4.4424	1.7823		4.5110	5.3525
H9	2.4974	2.0385	2.4305	3.6019	3.8198	1.0253	4.2899	4.5110		1.7823
H10	3.3662	2.0454	3.9941	2.8374	4.4424	1.0148	4.5110	5.3525	1.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.479	C1	C2	N6	113.537
C1	N5	H7	118.351	C1	N5	H8	119.876
C2	C1	S3	122.479	C2	C1	N5	113.537
C2	N6	H9	118.351	C2	N6	H10	119.876
S3	C1	N5	123.984	S4	C2	N6	123.984
H7	N5	H8	121.773	H9	N6	H10	121.773

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: BLYP/6-311G**

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	-0.013
2	C	-0.013
3	S	-0.164
4	S	-0.164
5	N	-0.324
6	N	-0.324
7	H	0.250
8	H	0.252
9	H	0.250
10	H	0.252

	x	y	z
x	15.440	3.482	0.000
y	3.482	14.837	0.000
z	0.000	0.000	4.647

<r²>	262.281
(<r²>)^1/2	16.195

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: BLYP/6-311G**

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)