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	hartrees
Energy at 0K	-603.478426
Energy at 298.15K	-603.485931
Nuclear repulsion energy	225.865981

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3780	3589	85.18
2	A	3622	3438	21.62
3	A	3614	3431	80.87
4	A	3597	3415	3.99
5	A	3506	3329	2.83
6	A	1731	1643	46.22
7	A	1645	1562	263.52
8	A	1559	1480	211.99
9	A	1488	1413	20.07
10	A	1334	1267	0.77
11	A	1319	1252	194.86
12	A	1214	1152	25.80
13	A	1048	994	32.81
14	A	937	889	108.39
15	A	844	801	49.86
16	A	686	651	0.46
17	A	616	585	0.86
18	A	525	499	1.99
19	A	503	478	30.45
20	A	399	379	189.03
21	A	390	371	102.92
22	A	303	288	15.54
23	A	161	153	73.23
24	A	45	42	16.36

Atom	x (Å)	y (Å)	z (Å)
H1	-0.606	-1.675	0.017
N2	-0.858	-0.698	-0.033
S3	1.753	-0.355	0.006
C4	0.174	0.187	-0.008
H5	-1.165	1.722	-0.024
H6	0.535	2.174	-0.012
N7	-0.186	1.476	0.002
H8	-2.626	-0.594	0.865
H9	-2.689	-0.626	-0.785
N10	-2.177	-0.269	0.014

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0102	2.7033	2.0189	3.4428	4.0152	3.1795	2.4434	2.4665	2.1090
N2	1.0102		2.6338	1.3596	2.4393	3.1925	2.2763	1.9863	1.9809	1.3884
S3	2.7033	2.6338		1.6698	3.5820	2.8079	2.6679	4.4693	4.5204	3.9314
C4	2.0189	1.3596	1.6698		2.0368	2.0201	1.3391	3.0351	3.0762	2.3950
H5	3.4428	2.4393	3.5820	2.0368		1.7593	1.0092	2.8788	2.9008	2.2331
H6	4.0152	3.1925	2.8079	2.0201	1.7593		1.0038	4.2923	4.3401	3.6503
N7	3.1795	2.2763	2.6679	1.3391	1.0092	1.0038		3.3140	3.3624	2.6473
H8	2.4434	1.9863	4.4693	3.0351	2.8788	4.2923	3.3140		1.6520	1.0154
H9	2.4665	1.9809	4.5204	3.0762	2.9008	4.3401	3.3624	1.6520		1.0147
N10	2.1090	1.3884	3.9314	2.3950	2.2331	3.6503	2.6473	1.0154	1.0147

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	116.065	H1	N2	N10	122.312
N2	C4	S3	120.431	N2	C4	N7	115.015
N2	N10	H8	110.484	N2	N10	H9	110.064
S3	C4	N7	124.554	C4	N2	N10	121.267
C4	N7	H5	119.652	C4	N7	H6	118.429
H5	N7	H6	121.841	H8	N10	H9	108.927

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: B1B95/6-31G*

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	H	0.364
2	N	-0.493
3	S	-0.329
4	C	0.368
5	H	0.376
6	H	0.378
7	N	-0.749
8	H	0.345
9	H	0.347
10	N	-0.607

	x	y	z	Total
	-6.030	0.433	0.076	6.046
CHELPG
AIM
ESP

	x	y	z
x	10.770	-0.640	0.019
y	-0.640	6.832	-0.000
z	0.019	-0.000	3.864

<r²>	159.813
(<r²>)^1/2	12.642

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)