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	hartrees
Energy at 0K	-984.528054
Energy at 298.15K	-984.534123
HF Energy	-984.528054
Nuclear repulsion energy	336.271219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3696	3552	0.00
2	A_g	3474	3338	0.00
3	A_g	1641	1577	0.00
4	A_g	1440	1384	0.00
5	A_g	1324	1272	0.00
6	A_g	944	907	0.00
7	A_g	678	651	0.00
8	A_g	416	400	0.00
9	A_g	334	321	0.00
10	A_u	669	642	16.71
11	A_u	531	511	330.14
12	A_u	388	373	48.51
13	A_u	51	49	8.84
14	B_g	721	693	0.00
15	B_g	658	633	0.00
16	B_g	504	484	0.00
17	B_u	3698	3553	201.29
18	B_u	3481	3344	217.83
19	B_u	1602	1539	504.47
20	B_u	1435	1378	235.82
21	B_u	1237	1189	123.01
22	B_u	865	831	58.66
23	B_u	457	439	1.13
24	B_u	280	269	29.35

Atom	x (Å)	y (Å)
C1	-0.050	0.765
C2	0.050	-0.765
S3	1.302	1.750
S4	-1.302	-1.750
N5	-1.302	1.216
N6	1.302	-1.216
H7	-2.061	0.539
H8	-1.476	2.210
H9	2.061	-0.539
H10	1.476	-2.210

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5342	1.6720	2.8097	1.3306	2.3988	2.0242	2.0294	2.4816	3.3433
C2	1.5342		2.8097	1.6720	2.3988	1.3306	2.4816	3.3433	2.0242	2.0294
S3	1.6720	2.8097		4.3619	2.6575	2.9662	3.5744	2.8151	2.4116	3.9633
S4	2.8097	1.6720	4.3619		2.9662	2.6575	2.4116	3.9633	3.5744	2.8151
N5	1.3306	2.3988	2.6575	2.9662		3.5631	1.0177	1.0084	3.7935	4.4103
N6	2.3988	1.3306	2.9662	2.6575	3.5631		3.7935	4.4103	1.0177	1.0084
H7	2.0242	2.4816	3.5744	2.4116	1.0177	3.7935		1.7704	4.2612	4.4793
H8	2.0294	3.3433	2.8151	3.9633	1.0084	4.4103	1.7704		4.4793	5.3141
H9	2.4816	2.0242	2.4116	3.5744	3.7935	1.0177	4.2612	4.4793		1.7704
H10	3.3433	2.0294	3.9633	2.8151	4.4103	1.0084	4.4793	5.3141	1.7704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.346	C1	C2	N6	113.528
C1	N5	H7	118.470	C1	N5	H8	119.735
C2	C1	S3	122.346	C2	C1	N5	113.528
C2	N6	H9	118.470	C2	N6	H10	119.735
S3	C1	N5	124.125	S4	C2	N6	124.125
H7	N5	H8	121.795	H9	N6	H10	121.795

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: B3LYP/6-31G**

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	0.141
2	C	0.141
3	S	-0.220
4	S	-0.220
5	N	-0.524
6	N	-0.524
7	H	0.303
8	H	0.301
9	H	0.303
10	H	0.301

	x	y	z
x	14.115	3.187	0.000
y	3.187	12.669	0.000
z	0.000	0.000	4.543

<r²>	257.763
(<r²>)^1/2	16.055

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)