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	hartrees
Energy at 0K	-982.957734
Energy at 298.15K	-982.963781
HF Energy	-982.046059
Nuclear repulsion energy	336.716515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3768	3543	0.00
2	A_g	3568	3355	0.00
3	A_g	1671	1572	0.00
4	A_g	1460	1373	0.00
5	A_g	1376	1294	0.00
6	A_g	990	931	0.00
7	A_g	694	652	0.00
8	A_g	419	394	0.00
9	A_g	340	320	0.00
10	A_u	674	633	1.93
11	A_u	477	448	262.98
12	A_u	394	371	81.23
13	A_u	37	35	6.70
14	B_g	720	677	0.00
15	B_g	661	621	0.00
16	B_g	448	421	0.00
17	B_u	3770	3545	219.86
18	B_u	3577	3364	272.45
19	B_u	1625	1528	613.68
20	B_u	1466	1379	319.42
21	B_u	1259	1184	98.56
22	B_u	908	854	60.97
23	B_u	462	434	0.34
24	B_u	285	268	27.41

Atom	x (Å)	y (Å)
C1	-0.047	0.768
C2	0.047	-0.768
S3	1.301	1.744
S4	-1.301	-1.744
N5	-1.301	1.217
N6	1.301	-1.217
H7	-2.058	0.538
H8	-1.473	2.212
H9	2.058	-0.538
H10	1.473	-2.212

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5388	1.6643	2.8074	1.3323	2.3997	2.0241	2.0297	2.4768	3.3455
C2	1.5388		2.8074	1.6643	2.3997	1.3323	2.4768	3.3455	2.0241	2.0297
S3	1.6643	2.8074		4.3514	2.6552	2.9609	3.5691	2.8135	2.4034	3.9598
S4	2.8074	1.6643	4.3514		2.9609	2.6552	2.4034	3.9598	3.5691	2.8135
N5	1.3323	2.3997	2.6552	2.9609		3.5636	1.0171	1.0099	3.7898	4.4111
N6	2.3997	1.3323	2.9609	2.6552	3.5636		3.7898	4.4111	1.0171	1.0099
H7	2.0241	2.4768	3.5691	2.4034	1.0171	3.7898		1.7740	4.2538	4.4753
H8	2.0297	3.3455	2.8135	3.9598	1.0099	4.4111	1.7740		4.4753	5.3157
H9	2.4768	2.0241	2.4034	3.5691	3.7898	1.0171	4.2538	4.4753		1.7740
H10	3.3455	2.0297	3.9598	2.8135	4.4111	1.0099	4.4753	5.3157	1.7740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.394	C1	C2	N6	113.206
C1	N5	H7	118.362	C1	N5	H8	119.494
C2	C1	S3	122.394	C2	C1	N5	113.206
C2	N6	H9	118.362	C2	N6	H10	119.494
S3	C1	N5	124.400	S4	C2	N6	124.400
H7	N5	H8	122.145	H9	N6	H10	122.145

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: MP3=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)