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	hartrees
Energy at 0K	-984.015581
Energy at 298.15K	-984.021695
HF Energy	-984.015581
Nuclear repulsion energy	337.991520

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3733	3566	0.00
2	A_g	3498	3342	0.00
3	A_g	1648	1574	0.00
4	A_g	1448	1383	0.00
5	A_g	1344	1283	0.00
6	A_g	961	918	0.00
7	A_g	691	660	0.00
8	A_g	417	399	0.00
9	A_g	338	322	0.00
10	A_u	674	644	24.90
11	A_u	527	504	281.20
12	A_u	392	374	51.63
13	A_u	51	48	7.57
14	B_g	726	694	0.00
15	B_g	663	633	0.00
16	B_g	509	486	0.00
17	B_u	3735	3568	234.18
18	B_u	3505	3348	246.60
19	B_u	1605	1533	570.80
20	B_u	1449	1384	274.33
21	B_u	1240	1184	141.72
22	B_u	888	848	57.47
23	B_u	460	439	1.27
24	B_u	280	268	27.90

Atom	x (Å)	y (Å)
C1	-0.048	0.763
C2	0.048	-0.763
S3	1.297	1.735
S4	-1.297	-1.735
N5	-1.297	1.211
N6	1.297	-1.211
H7	-2.053	0.530
H8	-1.474	2.203
H9	2.053	-0.530
H10	1.474	-2.203

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5289	1.6602	2.7930	1.3268	2.3889	2.0185	2.0264	2.4677	3.3337
C2	1.5289		2.7930	1.6602	2.3889	1.3268	2.4677	3.3337	2.0185	2.0264
S3	1.6602	2.7930		4.3333	2.6469	2.9464	3.5608	2.8105	2.3884	3.9422
S4	2.7930	1.6602	4.3333		2.9464	2.6469	2.3884	3.9422	3.5608	2.8105
N5	1.3268	2.3889	2.6469	2.9464		3.5493	1.0176	1.0074	3.7760	4.3971
N6	2.3889	1.3268	2.9464	2.6469	3.5493		3.7760	4.3971	1.0176	1.0074
H7	2.0185	2.4677	3.5608	2.3884	1.0176	3.7760		1.7701	4.2415	4.4624
H8	2.0264	3.3337	2.8105	3.9422	1.0074	4.3971	1.7701		4.4624	5.3011
H9	2.4677	2.0185	2.3884	3.5608	3.7760	1.0176	4.2415	4.4624		1.7701
H10	3.3337	2.0264	3.9422	2.8105	4.3971	1.0074	4.4624	5.3011	1.7701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.227	C1	C2	N6	113.371
C1	N5	H7	118.258	C1	N5	H8	119.859
C2	C1	S3	122.227	C2	C1	N5	113.371
C2	N6	H9	118.258	C2	N6	H10	119.859
S3	C1	N5	124.402	S4	C2	N6	124.402
H7	N5	H8	121.883	H9	N6	H10	121.883

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: PBE1PBE/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	-0.052
2	C	-0.052
3	S	-0.231
4	S	-0.231
5	N	-0.383
6	N	-0.383
7	H	0.330
8	H	0.336
9	H	0.330
10	H	0.336

	x	y	z
x	15.612	3.206	0.000
y	3.206	13.890	0.000
z	0.000	0.000	6.931

<r²>	255.697
(<r²>)^1/2	15.991

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: PBE1PBE/6-31+G**

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)