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	hartrees
Energy at 0K	-982.965551
Energy at 298.15K
HF Energy	-982.071104
Nuclear repulsion energy	337.379573

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3759	3590	0.00
2	A_g	3607	3445	0.00
3	A_g	1710	1633	0.00
4	A_g	1474	1407	0.00
5	A_g	1382	1320	0.00
6	A_g	992	948	0.00
7	A_g	691	660	0.00
8	A_g	426	407	0.00
9	A_g	341	326	0.00
10	A_u	641	612	0.15
11	A_u	400	382	239.31
12	A_u	383	366	250.23
13	A_u	49i	47i	3.44
14	B_g	676	646	0.00
15	B_g	637	608	0.00
16	B_g	356	340	0.00
17	B_u	3760	3591	155.68
18	B_u	3612	3450	258.76
19	B_u	1682	1606	492.99
20	B_u	1456	1391	562.78
21	B_u	1271	1214	160.30
22	B_u	908	867	88.87
23	B_u	474	452	0.63
24	B_u	285	273	21.72

Atom	x (Å)	y (Å)
C1	-0.045	0.769
C2	0.045	-0.769
S3	1.294	1.742
S4	-1.294	-1.742
N5	-1.294	1.226
N6	1.294	-1.226
H7	-2.069	0.581
H8	-1.458	2.218
H9	2.069	-0.581
H10	1.458	-2.218

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5399	1.6547	2.8042	1.3304	2.4021	2.0334	2.0242	2.5078	3.3429
C2	1.5399		2.8042	1.6547	2.4021	1.3304	2.5078	3.3429	2.0334	2.0242
S3	1.6547	2.8042		4.3396	2.6385	2.9680	3.5577	2.7924	2.4488	3.9630
S4	2.8042	1.6547	4.3396		2.9680	2.6385	2.4488	3.9630	3.5577	2.7924
N5	1.3304	2.4021	2.6385	2.9680		3.5650	1.0087	1.0051	3.8177	4.4081
N6	2.4021	1.3304	2.9680	2.6385	3.5650		3.8177	4.4081	1.0087	1.0051
H7	2.0334	2.5078	3.5577	2.4488	1.0087	3.8177		1.7473	4.2984	4.5024
H8	2.0242	3.3429	2.7924	3.9630	1.0051	4.4081	1.7473		4.5024	5.3079
H9	2.5078	2.0334	2.4488	3.5577	3.8177	1.0087	4.2984	4.5024		1.7473
H10	3.3429	2.0242	3.9630	2.7924	4.4081	1.0051	4.5024	5.3079	1.7473

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.710	C1	C2	N6	113.426
C1	N5	H7	120.125	C1	N5	H8	119.503
C2	C1	S3	122.710	C2	C1	N5	113.426
C2	N6	H9	120.125	C2	N6	H10	119.503
S3	C1	N5	123.864	S4	C2	N6	123.864
H7	N5	H8	120.373	H9	N6	H10	120.373

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: CCD/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: CCD/6-311G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)