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	hartrees
Energy at 0K	-983.129063
Energy at 298.15K	-983.135264
HF Energy	-982.026316
Nuclear repulsion energy	339.912500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3746	3520	0.00
2	A_g	3538	3326	0.00
3	A_g	1649	1550	0.00
4	A_g	1468	1380	0.00
5	A_g	1352	1271	0.00
6	A_g	980	921	0.00
7	A_g	695	653	0.00
8	A_g	422	397	0.00
9	A_g	345	324	0.00
10	A_u	682	641	4.01
11	A_u	534	502	262.84
12	A_u	405	381	56.09
13	A_u	51	48	9.09
14	B_g	747	702	0.00
15	B_g	678	638	0.00
16	B_g	506	475	0.00
17	B_u	3747	3522	246.42
18	B_u	3546	3333	288.03
19	B_u	1604	1508	520.98
20	B_u	1475	1386	269.07
21	B_u	1245	1170	94.93
22	B_u	915	860	31.25
23	B_u	462	434	0.61
24	B_u	291	274	27.15

Atom	x (Å)	y (Å)
C1	-0.044	0.759
C2	0.044	-0.759
S3	1.292	1.720
S4	-1.292	-1.720
N5	-1.292	1.206
N6	1.292	-1.206
H7	-2.046	0.530
H8	-1.466	2.197
H9	2.046	-0.530
H10	1.466	-2.197

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5198	1.6460	2.7748	1.3260	2.3763	2.0153	2.0223	2.4559	3.3187
C2	1.5198		2.7748	1.6460	2.3763	1.3260	2.4559	3.3187	2.0153	2.0223
S3	1.6460	2.7748		4.3020	2.6349	2.9259	3.5441	2.7993	2.3729	3.9200
S4	2.7748	1.6460	4.3020		2.9259	2.6349	2.3729	3.9200	3.5441	2.7993
N5	1.3260	2.3763	2.6349	2.9259		3.5355	1.0128	1.0054	3.7632	4.3804
N6	2.3763	1.3260	2.9259	2.6349	3.5355		3.7632	4.3804	1.0128	1.0054
H7	2.0153	2.4559	3.5441	2.3729	1.0128	3.7632		1.7644	4.2279	4.4467
H8	2.0223	3.3187	2.7993	3.9200	1.0054	4.3804	1.7644		4.4467	5.2818
H9	2.4559	2.0153	2.3729	3.5441	3.7632	1.0128	4.2279	4.4467		1.7644
H10	3.3187	2.0223	3.9200	2.7993	4.3804	1.0054	4.4467	5.2818	1.7644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.394	C1	C2	N6	113.060
C1	N5	H7	118.395	C1	N5	H8	119.697
C2	C1	S3	122.394	C2	C1	N5	113.060
C2	N6	H9	118.395	C2	N6	H10	119.697
S3	C1	N5	124.546	S4	C2	N6	124.546
H7	N5	H8	121.908	H9	N6	H10	121.908

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP2=FULL/6-31G(2df,p)

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: MP2=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)