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	hartrees
Energy at 0K	-984.476288
Energy at 298.15K	-984.482406
HF Energy	-984.476288
Nuclear repulsion energy	337.939410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3717	3717	0.00
2	A_g	3508	3508	0.00
3	A_g	1656	1656	0.00
4	A_g	1453	1453	0.00
5	A_g	1347	1347	0.00
6	A_g	967	967	0.00
7	A_g	686	686	0.00
8	A_g	425	425	0.00
9	A_g	338	338	0.00
10	A_u	644	644	4.57
11	A_u	540	540	357.77
12	A_u	388	388	48.12
13	A_u	40	40	11.27
14	B_g	717	717	0.00
15	B_g	639	639	0.00
16	B_g	513	513	0.00
17	B_u	3719	3719	223.67
18	B_u	3516	3516	302.35
19	B_u	1618	1618	565.93
20	B_u	1449	1449	352.80
21	B_u	1243	1243	159.81
22	B_u	893	893	79.00
23	B_u	470	470	1.38
24	B_u	288	288	24.20

Atom	x (Å)	y (Å)
C1	-0.048	0.767
C2	0.048	-0.767
S3	1.294	1.738
S4	-1.294	-1.738
N5	-1.294	1.216
N6	1.294	-1.216
H7	-2.060	0.551
H8	-1.461	2.209
H9	2.060	-0.551
H10	1.461	-2.209

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5377	1.6569	2.7983	1.3240	2.3951	2.0231	2.0187	2.4869	3.3376
C2	1.5377		2.7983	1.6569	2.3951	1.3240	2.4869	3.3376	2.0231	2.0187
S3	1.6569	2.7983		4.3343	2.6402	2.9547	3.5578	2.7949	2.4146	3.9514
S4	2.7983	1.6569	4.3343		2.9547	2.6402	2.4146	3.9514	3.5578	2.7949
N5	1.3240	2.3951	2.6402	2.9547		3.5518	1.0142	1.0071	3.7913	4.3961
N6	2.3951	1.3240	2.9547	2.6402	3.5518		3.7913	4.3961	1.0142	1.0071
H7	2.0231	2.4869	3.5578	2.4146	1.0142	3.7913		1.7629	4.2650	4.4743
H8	2.0187	3.3376	2.7949	3.9514	1.0071	4.3961	1.7629		4.4743	5.2976
H9	2.4869	2.0231	2.4146	3.5578	3.7913	1.0142	4.2650	4.4743		1.7629
H10	3.3376	2.0187	3.9514	2.7949	4.3961	1.0071	4.4743	5.2976	1.7629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.272	C1	C2	N6	113.431
C1	N5	H7	119.224	C1	N5	H8	119.360
C2	C1	S3	122.272	C2	C1	N5	113.431
C2	N6	H9	119.224	C2	N6	H10	119.360
S3	C1	N5	124.298	S4	C2	N6	124.298
H7	N5	H8	121.416	H9	N6	H10	121.416

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: M06-2X/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	0.003
2	C	0.003
3	S	-0.144
4	S	-0.144
5	N	-0.441
6	N	-0.441
7	H	0.294
8	H	0.288
9	H	0.294
10	H	0.288

	x	y	z
x	14.993	3.508	0.000
y	3.508	13.216	0.000
z	0.000	0.000	4.596

<r²>	256.155
(<r²>)^1/2	16.005

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: M06-2X/6-311G**

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)