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	hartrees
Energy at 0K	-982.890552
Energy at 298.15K	-982.896594
HF Energy	-981.984932
Nuclear repulsion energy	336.927457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3712	3526	0.00
2	A_g	3554	3376	0.00
3	A_g	1689	1604	0.00
4	A_g	1480	1406	0.00
5	A_g	1385	1316	0.00
6	A_g	991	942	0.00
7	A_g	691	656	0.00
8	A_g	433	412	0.00
9	A_g	346	329	0.00
10	A_u	660	627	2.59
11	A_u	514	488	422.37
12	A_u	396	376	47.98
13	A_u	11	11	8.27
14	B_g	721	685	0.00
15	B_g	656	623	0.00
16	B_g	487	463	0.00
17	B_u	3714	3527	192.71
18	B_u	3560	3381	264.91
19	B_u	1654	1571	536.29
20	B_u	1469	1395	386.10
21	B_u	1268	1205	128.29
22	B_u	892	848	75.46
23	B_u	474	450	0.53
24	B_u	295	280	23.12

Atom	x (Å)	y (Å)
C1	-0.046	0.765
C2	0.046	-0.765
S3	1.296	1.746
S4	-1.296	-1.746
N5	-1.296	1.222
N6	1.296	-1.222
H7	-2.072	0.567
H8	-1.460	2.220
H9	2.072	-0.567
H10	1.460	-2.220

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5336	1.6614	2.8056	1.3308	2.3976	2.0362	2.0290	2.5017	3.3437
C2	1.5336		2.8056	1.6614	2.3976	1.3308	2.5017	3.3437	2.0362	2.0290
S3	1.6614	2.8056		4.3487	2.6436	2.9683	3.5681	2.7960	2.4398	3.9698
S4	2.8056	1.6614	4.3487		2.9683	2.6436	2.4398	3.9698	3.5681	2.7960
N5	1.3308	2.3976	2.6436	2.9683		3.5619	1.0160	1.0116	3.8131	4.4093
N6	2.3976	1.3308	2.9683	2.6436	3.5619		3.8131	4.4093	1.0160	1.0116
H7	2.0362	2.5017	3.5681	2.4398	1.0160	3.8131		1.7630	4.2961	4.4990
H8	2.0290	3.3437	2.7960	3.9698	1.0116	4.4093	1.7630		4.4990	5.3144
H9	2.5017	2.0362	2.4398	3.5681	3.8131	1.0160	4.2961	4.4990		1.7630
H10	3.3437	2.0290	3.9698	2.7960	4.4093	1.0116	4.4990	5.3144	1.7630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.780	C1	C2	N6	113.467
C1	N5	H7	119.770	C1	N5	H8	119.422
C2	C1	S3	122.780	C2	C1	N5	113.467
C2	N6	H9	119.770	C2	N6	H10	119.422
S3	C1	N5	123.753	S4	C2	N6	123.753
H7	N5	H8	120.807	H9	N6	H10	120.807

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

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

using model chemistry: CCSD=FULL/6-31G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)