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	hartrees
Energy at 0K	-977.579544
Energy at 298.15K	-977.585938
HF Energy	-977.061906
Nuclear repulsion energy	331.093210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3617	3453	0.00
2	A_g	3432	3276	0.00
3	A_g	1696	1619	0.00
4	A_g	1464	1397	0.00
5	A_g	1350	1288	0.00
6	A_g	939	897	0.00
7	A_g	663	633	0.00
8	A_g	432	413	0.00
9	A_g	341	325	0.00
10	A_u	732	699	541.49
11	A_u	661	631	8.95
12	A_u	404	386	30.41
13	A_u	61	58	15.65
14	B_g	767	732	0.00
15	B_g	687	655	0.00
16	B_g	659	629	0.00
17	B_u	3619	3454	188.45
18	B_u	3439	3282	288.64
19	B_u	1679	1603	349.29
20	B_u	1443	1377	352.72
21	B_u	1288	1229	104.51
22	B_u	837	799	63.05
23	B_u	469	447	2.39
24	B_u	293	279	25.19

Atom	x (Å)	y (Å)
C1	-0.064	0.759
C2	0.064	-0.759
S3	1.321	1.791
S4	-1.321	-1.791
N5	-1.321	1.216
N6	1.321	-1.216
H7	-2.096	0.548
H8	-1.491	2.218
H9	2.096	-0.548
H10	1.491	-2.218

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5229	1.7279	2.8433	1.3381	2.4122	2.0427	2.0405	2.5242	3.3579
C2	1.5229		2.8433	1.7279	2.4122	1.3381	2.5242	3.3579	2.0427	2.0405
S3	1.7279	2.8433		4.4521	2.7049	3.0073	3.6365	2.8443	2.4639	4.0124
S4	2.8433	1.7279	4.4521		3.0073	2.7049	2.4639	4.0124	3.6365	2.8443
N5	1.3381	2.4122	2.7049	3.0073		3.5916	1.0227	1.0158	3.8456	4.4382
N6	2.4122	1.3381	3.0073	2.7049	3.5916		3.8456	4.4382	1.0227	1.0158
H7	2.0427	2.5242	3.6365	2.4639	1.0227	3.8456		1.7760	4.3323	4.5288
H8	2.0405	3.3579	2.8443	4.0124	1.0158	4.4382	1.7760		4.5288	5.3440
H9	2.5242	2.0427	2.4639	3.6365	3.8456	1.0227	4.3323	4.5288		1.7760
H10	3.3579	2.0405	4.0124	2.8443	4.4382	1.0158	4.5288	5.3440	1.7760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	121.881	C1	C2	N6	114.796
C1	N5	H7	119.228	C1	N5	H8	119.571
C2	C1	S3	121.881	C2	C1	N5	114.796
C2	N6	H9	119.228	C2	N6	H10	119.571
S3	C1	N5	123.324	S4	C2	N6	123.324
H7	N5	H8	121.201	H9	N6	H10	121.201

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)