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	hartrees
Energy at 0K	-984.541987
Energy at 298.15K	-984.547857
HF Energy	-984.541987
Nuclear repulsion energy	333.683484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3565	3556	0.00
2	A_g	3334	3325	0.00
3	A_g	1566	1562	0.00
4	A_g	1374	1370	0.00
5	A_g	1262	1259	0.00
6	A_g	886	884	0.00
7	A_g	651	649	0.00
8	A_g	401	400	0.00
9	A_g	321	320	0.00
10	A_u	649	648	18.47
11	A_u	492	491	240.42
12	A_u	372	371	53.02
13	A_u	47	46	6.07
14	B_g	688	687	0.00
15	B_g	636	635	0.00
16	B_g	471	470	0.00
17	B_u	3567	3558	166.24
18	B_u	3338	3330	190.66
19	B_u	1538	1534	429.44
20	B_u	1357	1353	228.41
21	B_u	1199	1196	104.69
22	B_u	823	821	45.04
23	B_u	441	440	0.99
24	B_u	269	268	25.76

Atom	x (Å)	y (Å)
C1	-0.050	0.767
C2	0.050	-0.767
S3	1.312	1.765
S4	-1.312	-1.765
N5	-1.312	1.225
N6	1.312	-1.225
H7	-2.076	0.542
H8	-1.489	2.223
H9	2.076	-0.542
H10	1.489	-2.223

	C1	C2	S3	S4	N5	N6	H7	H8	H9	H10
C1		1.5375	1.6885	2.8289	1.3417	2.4128	2.0385	2.0465	2.4975	3.3628
C2	1.5375		2.8289	1.6885	2.4128	1.3417	2.4975	3.3628	2.0385	2.0465
S3	1.6885	2.8289		4.3981	2.6785	2.9895	3.6020	2.8375	2.4306	3.9919
S4	2.8289	1.6885	4.3981		2.9895	2.6785	2.4306	3.9919	3.6020	2.8375
N5	1.3417	2.4128	2.6785	2.9895		3.5889	1.0248	1.0140	3.8211	4.4415
N6	2.4128	1.3417	2.9895	2.6785	3.5889		3.8211	4.4415	1.0248	1.0140
H7	2.0385	2.4975	3.6020	2.4306	1.0248	3.8211		1.7805	4.2920	4.5117
H8	2.0465	3.3628	2.8375	3.9919	1.0140	4.4415	1.7805		4.5117	5.3507
H9	2.4975	2.0385	2.4306	3.6020	3.8211	1.0248	4.2920	4.5117		1.7805
H10	3.3628	2.0465	3.9919	2.8375	4.4415	1.0140	4.5117	5.3507	1.7805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S4	122.472	C1	C2	N6	113.690
C1	N5	H7	118.326	C1	N5	H8	119.980
C2	C1	S3	122.472	C2	C1	N5	113.690
C2	N6	H9	118.326	C2	N6	H10	119.980
S3	C1	N5	123.839	S4	C2	N6	123.839
H7	N5	H8	121.694	H9	N6	H10	121.694

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)

using model chemistry: BLYP/TZVP

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	-0.017
2	C	-0.017
3	S	-0.198
4	S	-0.198
5	N	-0.264
6	N	-0.264
7	H	0.234
8	H	0.246
9	H	0.234
10	H	0.246

	x	y	z
x	15.831	3.090	0.000
y	3.090	14.401	0.000
z	0.000	0.000	6.070

<r²>	261.813
(<r²>)^1/2	16.181

All results from a given calculation for C2H4N2S2 (Ethanedithioamide)

using model chemistry: BLYP/TZVP

States and conformations

All results from a given calculation for C₂H₄N₂S₂ (Ethanedithioamide)