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	hartrees
Energy at 0K	-973.207564
Energy at 298.15K
HF Energy	-973.207564
Nuclear repulsion energy	338.742151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3888	3888	0.00
2	A_g	3174	3174	0.00
3	A_g	1756	1756	0.00
4	A_g	1464	1464	0.00
5	A_g	1316	1316	0.00
6	A_g	1036	1036	0.00
7	A_g	736	736	0.00
8	A_g	461	461	0.00
9	A_g	322	322	0.00
10	A_u	928	928	83.77
11	A_u	406	406	26.80
12	A_u	283	283	274.14
13	A_u	32i	32i	52.14
14	B_g	938	938	0.00
15	B_g	699	699	0.00
16	B_g	217	217	0.00
17	B_u	3888	3888	177.87
18	B_u	3247	3247	751.32
19	B_u	1629	1629	373.03
20	B_u	1612	1612	477.80
21	B_u	1281	1281	22.11
22	B_u	1000	1000	25.44
23	B_u	485	485	19.29
24	B_u	352	352	74.75

Atom	x (Å)	y (Å)
C1	-0.031	0.784
C2	0.031	-0.784
S3	1.352	1.666
S4	-1.352	-1.666
N5	-1.352	1.139
N6	1.352	-1.139
H7	-1.959	0.253
H8	-1.699	2.114
H9	1.959	-0.253
H10	1.699	-2.114

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5701	1.6405	2.7837	1.3680	2.3696	2.0000	2.1328	2.2445	3.3755
C2	1.5701		2.7837	1.6405	2.3696	1.3680	2.2445	3.3755	2.0000	2.1328
S3	1.6405	2.7837		4.2913	2.7556	2.8050	3.6005	3.0840	2.0122	3.7957
S4	2.7837	1.6405	4.2913		2.8050	2.7556	2.0122	3.7957	3.6005	3.0840
N5	1.3680	2.3696	2.7556	2.8050		3.5366	1.0743	1.0345	3.5924	4.4603
N6	2.3696	1.3680	2.8050	2.7556	3.5366		3.5924	4.4603	1.0743	1.0345
H7	2.0000	2.2445	3.6005	2.0122	1.0743	3.5924		1.8794	3.9510	4.3570
H8	2.1328	3.3755	3.0840	3.7957	1.0345	4.4603	1.8794		4.3570	5.4241
H9	2.2445	2.0000	2.0122	3.6005	3.5924	1.0743	3.9510	4.3570		1.8794
H10	3.3755	2.1328	3.7957	3.0840	4.4603	1.0345	4.3570	5.4241	1.8794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	120.217	C1	C2	N6	107.311
C1	N5	H7	109.364	C1	N5	H8	124.592
C2	C1	S3	120.217	C2	C1	N5	107.311
C2	N6	H9	109.364	C2	N6	H10	124.592
S3	C1	N5	132.473	S4	C2	N6	132.473
H7	N5	H8	126.044	H9	N6	H10	126.044

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: wB97X-D/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	-0.029
2	C	-0.029
3	S	-0.022
4	S	-0.022
5	N	-0.371
6	N	-0.371
7	H	0.208
8	H	0.215
9	H	0.208
10	H	0.215

	x	y	z
x	8.839	1.741	0.000
y	1.741	6.658	0.000
z	0.000	0.000	1.155

<r²>	247.759
(<r²>)^1/2	15.740

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: wB97X-D/STO-3G

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)