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	hartrees
Energy at 0K	-982.935880
Energy at 298.15K	-982.941881
HF Energy	-982.045745
Nuclear repulsion energy	336.252749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3744	3582	0.00
2	A_g	3553	3399	0.00
3	A_g	1663	1591	0.00
4	A_g	1452	1390	0.00
5	A_g	1372	1312	0.00
6	A_g	986	944	0.00
7	A_g	689	660	0.00
8	A_g	417	399	0.00
9	A_g	338	324	0.00
10	A_u	668	639	1.07
11	A_u	469	449	264.87
12	A_u	392	375	82.03
13	A_u	31	30	6.72
14	B_g	716	685	0.00
15	B_g	656	627	0.00
16	B_g	440	421	0.00
17	B_u	3746	3583	215.47
18	B_u	3561	3407	267.39
19	B_u	1618	1548	603.77
20	B_u	1458	1395	349.00
21	B_u	1254	1199	103.00
22	B_u	902	863	66.35
23	B_u	461	441	0.29
24	B_u	283	271	26.95

Atom	x (Å)	y (Å)
C1	-0.046	0.770
C2	0.046	-0.770
S3	1.302	1.747
S4	-1.302	-1.747
N5	-1.302	1.219
N6	1.302	-1.219
H7	-2.062	0.541
H8	-1.475	2.216
H9	2.062	-0.541
H10	1.475	-2.216

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5427	1.6653	2.8130	1.3338	2.4029	2.0291	2.0328	2.4830	3.3513
C2	1.5427		2.8130	1.6653	2.4029	1.3338	2.4830	3.3513	2.0291	2.0328
S3	1.6653	2.8130		4.3580	2.6575	2.9659	3.5742	2.8163	2.4111	3.9671
S4	2.8130	1.6653	4.3580		2.9659	2.6575	2.4111	3.9671	3.5742	2.8163
N5	1.3338	2.4029	2.6575	2.9659		3.5673	1.0184	1.0122	3.7971	4.4172
N6	2.4029	1.3338	2.9659	2.6575	3.5673		3.7971	4.4172	1.0184	1.0122
H7	2.0291	2.4830	3.5742	2.4111	1.0184	3.7971		1.7753	4.2644	4.4849
H8	2.0328	3.3513	2.8163	3.9671	1.0122	4.4172	1.7753		4.4849	5.3242
H9	2.4830	2.0291	2.4111	3.5742	3.7971	1.0184	4.2644	4.4849		1.7753
H10	3.3513	2.0328	3.9671	2.8163	4.4172	1.0122	4.4849	5.3242	1.7753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.487	C1	C2	N6	113.109
C1	N5	H7	118.610	C1	N5	H8	119.480
C2	C1	S3	122.487	C2	C1	N5	113.109
C2	N6	H9	118.610	C2	N6	H10	119.480
S3	C1	N5	124.404	S4	C2	N6	124.404
H7	N5	H8	121.909	H9	N6	H10	121.909

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)