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	hartrees
Energy at 0K	-596.297678
Energy at 298.15K	-596.305052
Nuclear repulsion energy	216.457962

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3578	3311	14.33
2	A	3467	3208	13.41
3	A	3343	3093	18.24
4	A	3268	3024	6.25
5	A	3190	2952	170.28
6	A	1752	1621	10.95
7	A	1637	1515	68.79
8	A	1499	1387	137.98
9	A	1385	1281	18.78
10	A	1325	1226	35.10
11	A	1243	1150	14.52
12	A	1200	1110	70.40
13	A	1033	956	3.21
14	A	969	896	66.23
15	A	866	801	73.29
16	A	791	732	51.03
17	A	631	584	124.21
18	A	547	506	22.76
19	A	531	492	131.58
20	A	462	427	10.19
21	A	368	341	10.18
22	A	294	272	7.70
23	A	211	195	27.03
24	A	93	86	17.23

Atom	x (Å)	y (Å)	z (Å)
H1	0.634	-1.691	0.241
N2	0.868	-0.822	-0.358
S3	-1.833	-0.292	0.069
C4	-0.267	0.174	-0.063
H5	1.348	1.343	0.177
H6	-0.209	2.207	0.428
N7	0.323	1.487	-0.140
H8	2.889	-0.414	-0.589
H9	2.530	-0.934	0.959
N10	2.200	-0.219	0.220

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0813	2.8411	2.0934	3.1182	3.9930	3.2163	2.7213	2.1646	2.1501
N2	1.0813		2.7854	1.5387	2.2816	3.3099	2.3829	2.0742	2.1236	1.5723
S3	2.8411	2.7854		1.6388	3.5784	3.0020	2.8028	4.7685	4.4991	4.0367
C4	2.0934	1.5387	1.6388		2.0088	2.0929	1.4420	3.2527	3.1778	2.5145
H5	3.1182	2.2816	3.5784	2.0088		1.7984	1.0828	2.4588	2.6825	1.7800
H6	3.9930	3.3099	3.0020	2.0929	1.7984		1.0599	4.1830	4.2018	3.4256
N7	3.2163	2.3829	2.8028	1.4420	1.0828	1.0599		3.2246	3.4560	2.5623
H8	2.7213	2.0742	4.7685	3.2527	2.4588	4.1830	3.2246		1.6719	1.0793
H9	2.1646	2.1236	4.4991	3.1778	2.6825	4.2018	3.4560	1.6719		1.0806
N10	2.1501	1.5723	4.0367	2.5145	1.7800	3.4256	2.5623	1.0793	1.0806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	104.723	H1	N2	N10	106.781
N2	C4	S3	122.445	N2	C4	N7	106.111
N2	N10	H8	101.306	N2	N10	H9	104.836
S3	C4	N7	130.842	C4	N2	N10	107.850
C4	N7	H5	104.524	C4	N7	H6	112.656
H5	N7	H6	114.130	H8	N10	H9	101.449

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: BLYP/STO-3G

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	0.161
2	N	-0.216
3	S	-0.009
4	C	-0.016
5	H	0.205
6	H	0.178
7	N	-0.350
8	H	0.175
9	H	0.161
10	N	-0.288

	x	y	z	Total
	3.049	-0.802	1.961	3.712
CHELPG
AIM
ESP

	x	y	z
x	8.023	0.308	-0.223
y	0.308	4.223	-0.175
z	-0.223	-0.175	1.823

<r²>	166.404
(<r²>)^1/2	12.900

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)