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	hartrees
Energy at 0K	-984.134040
Energy at 298.15K	-984.140182
HF Energy	-984.134040
Nuclear repulsion energy	338.192722

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3725	3574	0.00
2	A_g	3516	3374	0.00
3	A_g	1670	1603	0.00
4	A_g	1467	1408	0.00
5	A_g	1349	1295	0.00
6	A_g	961	923	0.00
7	A_g	689	661	0.00
8	A_g	418	402	0.00
9	A_g	338	325	0.00
10	A_u	675	648	17.65
11	A_u	551	529	382.96
12	A_u	391	376	50.67
13	A_u	45	43	9.71
14	B_g	726	697	0.00
15	B_g	664	637	0.00
16	B_g	524	503	0.00
17	B_u	3726	3576	177.13
18	B_u	3521	3379	212.19
19	B_u	1635	1569	511.35
20	B_u	1456	1397	293.74
21	B_u	1255	1204	156.33
22	B_u	885	849	64.77
23	B_u	463	444	1.57
24	B_u	283	271	27.89

Atom	x (Å)	y (Å)
C1	-0.049	0.763
C2	0.049	-0.763
S3	1.294	1.738
S4	-1.294	-1.738
N5	-1.294	1.210
N6	1.294	-1.210
H7	-2.055	0.539
H8	-1.472	2.199
H9	2.055	-0.539
H10	1.472	-2.199

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5282	1.6606	2.7936	1.3229	2.3863	2.0181	2.0217	2.4743	3.3293
C2	1.5282		2.7936	1.6606	2.3863	1.3229	2.4743	3.3293	2.0181	2.0217
S3	1.6606	2.7936		4.3345	2.6422	2.9478	3.5576	2.8045	2.4010	3.9411
S4	2.7936	1.6606	4.3345		2.9478	2.6422	2.4010	3.9411	3.5576	2.8045
N5	1.3229	2.3863	2.6422	2.9478		3.5431	1.0139	1.0052	3.7784	4.3898
N6	2.3863	1.3229	2.9478	2.6422	3.5431		3.7784	4.3898	1.0139	1.0052
H7	2.0181	2.4743	3.5576	2.4010	1.0139	3.7784		1.7592	4.2491	4.4650
H8	2.0217	3.3293	2.8045	3.9411	1.0052	4.3898	1.7592		4.4650	5.2922
H9	2.4743	2.0181	2.4010	3.5576	3.7784	1.0139	4.2491	4.4650		1.7592
H10	3.3293	2.0217	3.9411	2.8045	4.3898	1.0052	4.4650	5.2922	1.7592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.288	C1	C2	N6	113.447
C1	N5	H7	118.858	C1	N5	H8	119.925
C2	C1	S3	122.288	C2	C1	N5	113.447
C2	N6	H9	118.858	C2	N6	H10	119.925
S3	C1	N5	124.265	S4	C2	N6	124.265
H7	N5	H8	121.217	H9	N6	H10	121.217

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	C	0.096
2	C	0.096
3	S	-0.162
4	S	-0.162
5	N	-0.742
6	N	-0.742
7	H	0.408
8	H	0.400
9	H	0.408
10	H	0.400

	x	y	z
x	14.681	3.382	0.000
y	3.382	13.493	0.000
z	0.000	0.000	4.502

<r²>	255.610
(<r²>)^1/2	15.988

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: HSEh1PBE/6-311G*

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)