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	hartrees
Energy at 0K	-983.164091
Energy at 298.15K	-983.170340
HF Energy	-982.027288
Nuclear repulsion energy	339.293138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3768	3548	0.00
2	A_g	3588	3379	0.00
3	A_g	1671	1574	0.00
4	A_g	1479	1393	0.00
5	A_g	1389	1308	0.00
6	A_g	997	939	0.00
7	A_g	694	653	0.00
8	A_g	424	399	0.00
9	A_g	344	324	0.00
10	A_u	684	644	1.69
11	A_u	562	529	284.12
12	A_u	410	387	45.79
13	A_u	45	43	10.92
14	B_g	759	715	0.00
15	B_g	681	641	0.00
16	B_g	532	501	0.00
17	B_u	3770	3550	221.14
18	B_u	3596	3386	282.65
19	B_u	1634	1539	520.59
20	B_u	1474	1388	388.58
21	B_u	1263	1189	128.12
22	B_u	901	849	69.37
23	B_u	468	440	0.54
24	B_u	292	275	27.49

Atom	x (Å)	y (Å)
C1	-0.048	0.762
C2	0.048	-0.762
S3	1.291	1.729
S4	-1.291	-1.729
N5	-1.291	1.210
N6	1.291	-1.210
H7	-2.051	0.547
H8	-1.459	2.200
H9	2.051	-0.547
H10	1.459	-2.200

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5271	1.6511	2.7843	1.3213	2.3834	2.0154	2.0147	2.4738	3.3228
C2	1.5271		2.7843	1.6511	2.3834	1.3213	2.4738	3.3228	2.0154	2.0147
S3	1.6511	2.7843		4.3156	2.6327	2.9396	3.5449	2.7895	2.4003	3.9325
S4	2.7843	1.6511	4.3156		2.9396	2.6327	2.4003	3.9325	3.5449	2.7895
N5	1.3213	2.3834	2.6327	2.9396		3.5385	1.0094	1.0035	3.7758	4.3803
N6	2.3834	1.3213	2.9396	2.6327	3.5385		3.7758	4.3803	1.0094	1.0035
H7	2.0154	2.4738	3.5449	2.4003	1.0094	3.7758		1.7554	4.2463	4.4573
H8	2.0147	3.3228	2.7895	3.9325	1.0035	4.3803	1.7554		4.4573	5.2790
H9	2.4738	2.0154	2.4003	3.5449	3.7758	1.0094	4.2463	4.4573		1.7554
H10	3.3228	2.0147	3.9325	2.7895	4.3803	1.0035	4.4573	5.2790	1.7554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.296	C1	C2	N6	113.398
C1	N5	H7	119.097	C1	N5	H8	119.503
C2	C1	S3	122.296	C2	C1	N5	113.398
C2	N6	H9	119.097	C2	N6	H10	119.503
S3	C1	N5	124.306	S4	C2	N6	124.306
H7	N5	H8	121.400	H9	N6	H10	121.400

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: CCSD=FULL/6-31G(2df,p)

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: CCSD=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)