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	hartrees
Energy at 0K	-982.879216
Energy at 298.15K	-982.885322
HF Energy	-981.985311
Nuclear repulsion energy	337.770196

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3749	3518	0.00
2	A_g	3587	3366	0.00
3	A_g	1702	1597	0.00
4	A_g	1490	1398	0.00
5	A_g	1392	1307	0.00
6	A_g	1000	939	0.00
7	A_g	700	657	0.00
8	A_g	436	409	0.00
9	A_g	351	329	0.00
10	A_u	664	623	4.63
11	A_u	520	488	423.56
12	A_u	401	376	49.50
13	A_u	20	19	8.27
14	B_g	725	681	0.00
15	B_g	660	619	0.00
16	B_g	494	464	0.00
17	B_u	3751	3519	200.11
18	B_u	3594	3372	277.53
19	B_u	1665	1563	587.24
20	B_u	1482	1391	419.09
21	B_u	1279	1200	129.75
22	B_u	912	856	79.50
23	B_u	478	449	0.49
24	B_u	298	279	23.50

Atom	x (Å)	y (Å)
C1	-0.046	0.764
C2	0.046	-0.764
S3	1.293	1.739
S4	-1.293	-1.739
N5	-1.293	1.222
N6	1.293	-1.222
H7	-2.067	0.568
H8	-1.456	2.218
H9	2.067	-0.568
H10	1.456	-2.218

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5302	1.6560	2.7961	1.3293	2.3951	2.0313	2.0260	2.4973	3.3386
C2	1.5302		2.7961	1.6560	2.3951	1.3293	2.4973	3.3386	2.0313	2.0260
S3	1.6560	2.7961		4.3335	2.6374	2.9609	3.5587	2.7908	2.4326	3.9599
S4	2.7961	1.6560	4.3335		2.9609	2.6374	2.4326	3.9599	3.5587	2.7908
N5	1.3293	2.3951	2.6374	2.9609		3.5589	1.0139	1.0090	3.8075	4.4040
N6	2.3951	1.3293	2.9609	2.6374	3.5589		3.8075	4.4040	1.0139	1.0090
H7	2.0313	2.4973	3.5587	2.4326	1.0139	3.8075		1.7600	4.2877	4.4916
H8	2.0260	3.3386	2.7908	3.9599	1.0090	4.4040	1.7600		4.4916	5.3066
H9	2.4973	2.0313	2.4326	3.5587	3.8075	1.0139	4.2877	4.4916		1.7600
H10	3.3386	2.0260	3.9599	2.7908	4.4040	1.0090	4.4916	5.3066	1.7600

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.650	C1	C2	N6	113.590
C1	N5	H7	119.598	C1	N5	H8	119.476
C2	C1	S3	122.650	C2	C1	N5	113.590
C2	N6	H9	119.598	C2	N6	H10	119.476
S3	C1	N5	123.760	S4	C2	N6	123.760
H7	N5	H8	120.926	H9	N6	H10	120.926

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP3=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: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)