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	hartrees
Energy at 0K	-983.379278
Energy at 298.15K
HF Energy	-982.082122
Nuclear repulsion energy	336.010070

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3712	3569
2	A_g	3522	3387
3	A_g	1629	1566
4	A_g	1430	1375
5	A_g	1320	1269
6	A_g	945	908
7	A_g	670	644
8	A_g	408	393
9	A_g	329	316
10	A_u	627	603
11	A_u	367	353
12	A_u	258	248
13	A_u	78i	75i
14	B_g	645	620
15	B_g	619	595
16	B_g	192	185
17	B_u	3714	3571
18	B_u	3529	3393
19	B_u	1592	1531
20	B_u	1423	1368
21	B_u	1220	1173
22	B_u	877	843
23	B_u	454	437
24	B_u	271	260

Atom	x (Å)	y (Å)
C1	-0.042	0.769
C2	0.042	-0.769
S3	1.305	1.747
S4	-1.305	-1.747
N5	-1.305	1.219
N6	1.305	-1.219
H7	-2.062	0.542
H8	-1.483	2.211
H9	2.062	-0.542
H10	1.483	-2.211

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5401	1.6649	2.8151	1.3406	2.4012	2.0320	2.0385	2.4787	3.3477
C2	1.5401		2.8151	1.6649	2.4012	1.3406	2.4787	3.3477	2.0320	2.0385
S3	1.6649	2.8151		4.3614	2.6631	2.9658	3.5758	2.8260	2.4108	3.9625
S4	2.8151	1.6649	4.3614		2.9658	2.6631	2.4108	3.9625	3.5758	2.8260
N5	1.3406	2.4012	2.6631	2.9658		3.5713	1.0150	1.0084	3.7992	4.4200
N6	2.4012	1.3406	2.9658	2.6631	3.5713		3.7992	4.4200	1.0150	1.0084
H7	2.0320	2.4787	3.5758	2.4108	1.0150	3.7992		1.7670	4.2631	4.4879
H8	2.0385	3.3477	2.8260	3.9625	1.0084	4.4200	1.7670		4.4879	5.3247
H9	2.4787	2.0320	2.4108	3.5758	3.7992	1.0150	4.2631	4.4879		1.7670
H10	3.3477	2.0385	3.9625	2.8260	4.4200	1.0084	4.4879	5.3247	1.7670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.838	C1	C2	N6	112.749
C1	N5	H7	118.573	C1	N5	H8	119.742
C2	C1	S3	122.838	C2	C1	N5	112.749
C2	N6	H9	118.573	C2	N6	H10	119.742
S3	C1	N5	124.413	S4	C2	N6	124.413
H7	N5	H8	121.684	H9	N6	H10	121.684

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP4=FULL/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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All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: MP4=FULL/6-311G**

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)