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	hartrees
Energy at 0K	-982.799377
Energy at 298.15K
HF Energy	-982.072325
Nuclear repulsion energy	338.862959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3869	3580	0.00
2	A_g	3715	3437	0.00
3	A_g	1764	1632	0.00
4	A_g	1518	1404	0.00
5	A_g	1434	1327	0.00
6	A_g	1025	948	0.00
7	A_g	707	655	0.00
8	A_g	439	406	0.00
9	A_g	350	323	0.00
10	A_u	675	624	0.02
11	A_u	517	479	463.59
12	A_u	406	375	45.42
13	A_u	36i	34i	9.76
14	B_g	727	672	0.00
15	B_g	671	621	0.00
16	B_g	487	450	0.00
17	B_u	3870	3581	188.19
18	B_u	3719	3441	272.41
19	B_u	1737	1607	506.62
20	B_u	1496	1384	559.18
21	B_u	1311	1213	200.46
22	B_u	921	852	119.29
23	B_u	488	452	0.58
24	B_u	294	272	24.28

Atom	x (Å)	y (Å)
C1	-0.048	0.767
C2	0.048	-0.767
S3	1.287	1.738
S4	-1.287	-1.738
N5	-1.287	1.219
N6	1.287	-1.219
H7	-2.057	0.580
H8	-1.449	2.203
H9	2.057	-0.580
H10	1.449	-2.203

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5361	1.6509	2.7944	1.3191	2.3924	2.0182	2.0069	2.4988	3.3256
C2	1.5361		2.7944	1.6509	2.3924	1.3191	2.4988	3.3256	2.0182	2.0069
S3	1.6509	2.7944		4.3254	2.6256	2.9571	3.5392	2.7752	2.4425	3.9446
S4	2.7944	1.6509	4.3254		2.9571	2.6256	2.4425	3.9446	3.5392	2.7752
N5	1.3191	2.3924	2.6256	2.9571		3.5451	1.0011	0.9975	3.7972	4.3814
N6	2.3924	1.3191	2.9571	2.6256	3.5451		3.7972	4.3814	1.0011	0.9975
H7	2.0182	2.4988	3.5392	2.4425	1.0011	3.7972		1.7337	4.2749	4.4765
H8	2.0069	3.3256	2.7752	3.9446	0.9975	4.3814	1.7337		4.4765	5.2740
H9	2.4988	2.0182	2.4425	3.5392	3.7972	1.0011	4.2749	4.4765		1.7337
H10	3.3256	2.0069	3.9446	2.7752	4.3814	0.9975	4.4765	5.2740	1.7337

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.486	C1	C2	N6	113.625
C1	N5	H7	120.258	C1	N5	H8	119.420
C2	C1	S3	122.486	C2	C1	N5	113.625
C2	N6	H9	120.258	C2	N6	H10	119.420
S3	C1	N5	123.889	S4	C2	N6	123.889
H7	N5	H8	120.322	H9	N6	H10	120.322

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: CISD/6-311G*

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: CISD/6-311G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)