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	hartrees
Energy at 0K	-977.952825
Energy at 298.15K	-977.959175
HF Energy	-977.264241
Nuclear repulsion energy	334.215754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3598	3458	0.00
2	A_g	3427	3294	0.00
3	A_g	1688	1622	0.00
4	A_g	1439	1383	0.00
5	A_g	1341	1289	0.00
6	A_g	936	900	0.00
7	A_g	650	625	0.00
8	A_g	427	411	0.00
9	A_g	338	325	0.00
10	A_u	742	713	544.58
11	A_u	664	638	8.59
12	A_u	395	380	21.37
13	A_u	53	51	14.97
14	B_g	755	725	0.00
15	B_g	685	658	0.00
16	B_g	656	631	0.00
17	B_u	3599	3459	167.79
18	B_u	3434	3300	283.40
19	B_u	1672	1607	375.71
20	B_u	1423	1368	438.66
21	B_u	1287	1237	124.42
22	B_u	865	831	81.97
23	B_u	472	454	1.79
24	B_u	295	283	26.97

Atom	x (Å)	y (Å)
C1	-0.050	0.780
C2	0.050	-0.780
S3	1.309	1.755
S4	-1.309	-1.755
N5	-1.309	1.232
N6	1.309	-1.232
H7	-2.082	0.561
H8	-1.485	2.233
H9	2.082	-0.561
H10	1.485	-2.233

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5635	1.6725	2.8310	1.3383	2.4278	2.0442	2.0420	2.5184	3.3812
C2	1.5635		2.8310	1.6725	2.4278	1.3383	2.5184	3.3812	2.0442	2.0420
S3	1.6725	2.8310		4.3794	2.6708	2.9866	3.5955	2.8347	2.4414	3.9917
S4	2.8310	1.6725	4.3794		2.9866	2.6708	2.4414	3.9917	3.5955	2.8347
N5	1.3383	2.4278	2.6708	2.9866		3.5953	1.0230	1.0165	3.8361	4.4508
N6	2.4278	1.3383	2.9866	2.6708	3.5953		3.8361	4.4508	1.0230	1.0165
H7	2.0442	2.5184	3.5955	2.4414	1.0230	3.8361		1.7754	4.3125	4.5306
H8	2.0420	3.3812	2.8347	3.9917	1.0165	4.4508	1.7754		4.5306	5.3628
H9	2.5184	2.0442	2.4414	3.5955	3.8361	1.0230	4.3125	4.5306		1.7754
H10	3.3812	2.0420	3.9917	2.8347	4.4508	1.0165	4.5306	5.3628	1.7754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.012	C1	C2	N6	113.351
C1	N5	H7	119.325	C1	N5	H8	119.637
C2	C1	S3	122.012	C2	C1	N5	113.351
C2	N6	H9	119.325	C2	N6	H10	119.637
S3	C1	N5	124.637	S4	C2	N6	124.637
H7	N5	H8	121.037	H9	N6	H10	121.037

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: QCISD/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: QCISD/3-21G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)