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	hartrees
Energy at 0K	-984.123392
Energy at 298.15K	-984.129577
HF Energy	-984.123392
Nuclear repulsion energy	337.736584

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3705	3565	0.00
2	A_g	3459	3328	0.00
3	A_g	1633	1572	0.00
4	A_g	1432	1378	0.00
5	A_g	1345	1294	0.00
6	A_g	962	925	0.00
7	A_g	690	664	0.00
8	A_g	413	398	0.00
9	A_g	334	321	0.00
10	A_u	684	658	12.65
11	A_u	545	524	211.63
12	A_u	395	380	47.98
13	A_u	60	58	7.57
14	B_g	729	702	0.00
15	B_g	672	647	0.00
16	B_g	525	505	0.00
17	B_u	3707	3567	216.21
18	B_u	3466	3335	245.30
19	B_u	1589	1529	544.13
20	B_u	1437	1382	262.23
21	B_u	1234	1187	119.95
22	B_u	884	850	50.22
23	B_u	450	433	0.93
24	B_u	280	270	29.39

Atom	x (Å)	y (Å)
C1	-0.051	0.761
C2	0.051	-0.761
S3	1.301	1.735
S4	-1.301	-1.735
N5	-1.301	1.207
N6	1.301	-1.207
H7	-2.050	0.515
H8	-1.481	2.199
H9	2.050	-0.515
H10	1.481	-2.199

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5258	1.6663	2.7917	1.3269	2.3877	2.0142	2.0274	2.4586	3.3329
C2	1.5258		2.7917	1.6663	2.3877	1.3269	2.4586	3.3329	2.0142	2.0274
S3	1.6663	2.7917		4.3373	2.6549	2.9420	3.5663	2.8200	2.3718	3.9381
S4	2.7917	1.6663	4.3373		2.9420	2.6549	2.3718	3.9381	3.5663	2.8200
N5	1.3269	2.3877	2.6549	2.9420		3.5490	1.0198	1.0081	3.7677	4.3972
N6	2.3877	1.3269	2.9420	2.6549	3.5490		3.7677	4.3972	1.0198	1.0081
H7	2.0142	2.4586	3.5663	2.3718	1.0198	3.7677		1.7774	4.2280	4.4534
H8	2.0274	3.3329	2.8200	3.9381	1.0081	4.3972	1.7774		4.4534	5.3018
H9	2.4586	2.0142	2.3718	3.5663	3.7677	1.0198	4.2280	4.4534		1.7774
H10	3.3329	2.0274	3.9381	2.8200	4.3972	1.0081	4.4534	5.3018	1.7774

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	121.923	C1	C2	N6	113.471
C1	N5	H7	117.665	C1	N5	H8	119.896
C2	C1	S3	121.923	C2	C1	N5	113.471
C2	N6	H9	117.665	C2	N6	H10	119.896
S3	C1	N5	124.606	S4	C2	N6	124.606
H7	N5	H8	122.440	H9	N6	H10	122.440

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: HSEh1PBE/aug-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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Number	Element	Mulliken
1	C	0.444
2	C	0.444
3	S	-0.259
4	S	-0.259
5	N	-0.133
6	N	-0.133
7	H	-0.018
8	H	-0.034
9	H	-0.018
10	H	-0.034

	x	y	z
x	16.390	2.800	0.000
y	2.800	15.385	0.000
z	0.000	0.000	8.333

<r²>	255.799
(<r²>)^1/2	15.994

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: HSEh1PBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)