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	hartrees
Energy at 0K	-973.266869
Energy at 298.15K	-973.272375
HF Energy	-973.266869
Nuclear repulsion energy	340.335617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3900	3900	0.00
2	A_g	3137	3137	0.00
3	A_g	1763	1763	0.00
4	A_g	1441	1441	0.00
5	A_g	1298	1298	0.00
6	A_g	1026	1026	0.00
7	A_g	739	739	0.00
8	A_g	455	455	0.00
9	A_g	228	228	0.00
10	A_u	876	876	78.51
11	A_u	410	410	87.53
12	A_u	344	344	260.54
13	A_u	63	63	18.65
14	B_g	895	895	0.00
15	B_g	695	695	0.00
16	B_g	308	308	0.00
17	B_u	3899	3899	193.39
18	B_u	3222	3222	838.73
19	B_u	1644	1644	437.12
20	B_u	1578	1578	548.15
21	B_u	1285	1285	20.95
22	B_u	1010	1010	35.05
23	B_u	462	462	23.38
24	B_u	341	341	96.55

Atom	x (Å)	y (Å)
C1	-0.032	0.784
C2	0.032	-0.784
S3	1.347	1.655
S4	-1.347	-1.655
N5	-1.347	1.133
N6	1.347	-1.133
H7	-1.949	0.245
H8	-1.696	2.105
H9	1.949	-0.245
H10	1.696	-2.105

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5690	1.6314	2.7712	1.3612	2.3616	1.9914	2.1250	2.2322	3.3663
C2	1.5690		2.7712	1.6314	2.3616	1.3612	2.2322	3.3663	1.9914	2.1250
S3	1.6314	2.7712		4.2685	2.7449	2.7884	3.5852	3.0765	1.9935	3.7766
S4	2.7712	1.6314	4.2685		2.7884	2.7449	1.9935	3.7766	3.5852	3.0765
N5	1.3612	2.3616	2.7449	2.7884		3.5212	1.0725	1.0327	3.5731	4.4441
N6	2.3616	1.3612	2.7884	2.7449	3.5212		3.5731	4.4441	1.0725	1.0327
H7	1.9914	2.2322	3.5852	1.9935	1.0725	3.5731		1.8771	3.9288	4.3372
H8	2.1250	3.3663	3.0765	3.7766	1.0327	4.4441	1.8771		4.3372	5.4069
H9	2.2322	1.9914	1.9935	3.5852	3.5731	1.0725	3.9288	4.3372		1.8771
H10	3.3663	2.1250	3.7766	3.0765	4.4441	1.0327	4.3372	5.4069	1.8771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	119.960	C1	C2	N6	107.194
C1	N5	H7	109.250	C1	N5	H8	124.600
C2	C1	S3	119.960	C2	C1	N5	107.194
C2	N6	H9	109.250	C2	N6	H10	124.600
S3	C1	N5	132.845	S4	C2	N6	132.845
H7	N5	H8	126.150	H9	N6	H10	126.150

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: M06-2X/STO-3G

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	-0.026
2	C	-0.026
3	S	-0.020
4	S	-0.020
5	N	-0.376
6	N	-0.376
7	H	0.211
8	H	0.212
9	H	0.211
10	H	0.212

	x	y	z
x	9.055	1.848	0.000
y	1.848	6.694	0.000
z	0.000	0.000	1.167

<r²>	245.678
(<r²>)^1/2	15.674

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: M06-2X/STO-3G

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)