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	hartrees
Energy at 0K	-984.429943
Energy at 298.15K	-984.435787
HF Energy	-984.429943
Nuclear repulsion energy	333.383812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3586	3558	0.00
2	A_g	3343	3318	0.00
3	A_g	1579	1567	0.00
4	A_g	1385	1375	0.00
5	A_g	1267	1257	0.00
6	A_g	896	889	0.00
7	A_g	653	648	0.00
8	A_g	401	398	0.00
9	A_g	321	319	0.00
10	A_u	654	649	15.67
11	A_u	483	479	282.43
12	A_u	372	369	62.14
13	A_u	53	53	6.86
14	B_g	693	688	0.00
15	B_g	640	636	0.00
16	B_g	455	451	0.00
17	B_u	3588	3561	164.91
18	B_u	3349	3323	196.02
19	B_u	1542	1530	442.57
20	B_u	1380	1369	186.35
21	B_u	1197	1188	104.74
22	B_u	828	821	45.90
23	B_u	440	436	1.22
24	B_u	269	267	29.62

Atom	x (Å)	y (Å)
C1	-0.049	0.769
C2	0.049	-0.769
S3	1.313	1.767
S4	-1.313	-1.767
N5	-1.313	1.224
N6	1.313	-1.224
H7	-2.075	0.534
H8	-1.492	2.224
H9	2.075	-0.534
H10	1.492	-2.224

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5421	1.6885	2.8340	1.3434	2.4143	2.0394	2.0486	2.4922	3.3667
C2	1.5421		2.8340	1.6885	2.4143	1.3434	2.4922	3.3667	2.0394	2.0486
S3	1.6885	2.8340		4.4031	2.6824	2.9904	3.6055	2.8424	2.4238	3.9946
S4	2.8340	1.6885	4.4031		2.9904	2.6824	2.4238	3.9946	3.6055	2.8424
N5	1.3434	2.4143	2.6824	2.9904		3.5900	1.0271	1.0161	3.8171	4.4446
N6	2.4143	1.3434	2.9904	2.6824	3.5900		3.8171	4.4446	1.0271	1.0161
H7	2.0394	2.4922	3.6055	2.4238	1.0271	3.8171		1.7873	4.2851	4.5088
H8	2.0486	3.3667	2.8424	3.9946	1.0161	4.4446	1.7873		4.5088	5.3559
H9	2.4922	2.0394	2.4238	3.6055	3.8171	1.0271	4.2851	4.5088		1.7873
H10	3.3667	2.0486	3.9946	2.8424	4.4446	1.0161	4.5088	5.3559	1.7873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.551	C1	C2	N6	113.406
C1	N5	H7	118.094	C1	N5	H8	119.876
C2	C1	S3	122.551	C2	C1	N5	113.406
C2	N6	H9	118.094	C2	N6	H10	119.876
S3	C1	N5	124.043	S4	C2	N6	124.043
H7	N5	H8	122.029	H9	N6	H10	122.029

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: BLYP/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	0.135
2	C	0.135
3	S	-0.218
4	S	-0.218
5	N	-0.478
6	N	-0.478
7	H	0.280
8	H	0.281
9	H	0.280
10	H	0.281

	x	y	z
x	14.439	3.179	0.000
y	3.179	13.449	0.000
z	0.000	0.000	4.565

<r²>	261.698
(<r²>)^1/2	16.177

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

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

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)