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	hartrees
Energy at 0K	-596.418445
Energy at 298.15K	-596.426017
Nuclear repulsion energy	220.908212

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3776	3334	0.47
2	A	3649	3222	2.11
3	A	3591	3171	10.34
4	A	3572	3154	1.70
5	A	3408	3009	7.22
6	A	1836	1621	4.99
7	A	1781	1573	20.95
8	A	1580	1395	132.04
9	A	1423	1256	57.26
10	A	1411	1246	31.96
11	A	1344	1187	44.55
12	A	1308	1155	56.03
13	A	1174	1037	26.43
14	A	1052	929	38.24
15	A	933	823	30.94
16	A	778	687	188.92
17	A	704	621	177.26
18	A	587	519	25.37
19	A	472	417	23.08
20	A	445	393	40.89
21	A	379	334	8.90
22	A	287	253	15.54
23	A	225	199	32.52
24	A	142	125	1.11

Atom	x (Å)	y (Å)	z (Å)
H1	0.610	-1.761	0.105
N2	0.884	-0.777	0.363
S3	-1.761	-0.306	-0.079
C4	-0.212	0.122	0.094
H5	0.874	1.727	0.845
H6	-0.477	2.150	-0.075
N7	0.327	1.478	-0.019
H8	2.805	-0.170	0.483
H9	1.932	0.500	-0.751
N10	2.175	-0.456	-0.332

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0535	2.7884	2.0544	3.5749	4.0632	3.2537	2.7368	2.7543	2.0840
N2	1.0535		2.7233	1.4427	2.5495	3.2575	2.3541	2.0180	1.9916	1.5010
S3	2.7884	2.7233		1.6169	3.4540	2.7717	2.7471	4.6029	3.8389	3.9476
C4	2.0544	1.4427	1.6169		2.0778	2.0524	1.4635	3.0558	2.3344	2.4925
H5	3.5749	2.5495	3.4540	2.0778		1.6884	1.0524	2.7312	2.2739	2.8001
H6	4.0632	3.2575	2.7717	2.0524	1.6884		1.0490	4.0579	2.9968	3.7269
N7	3.2537	2.3541	2.7471	1.4635	1.0524	1.0490		3.0185	2.0171	2.6935
H8	2.7368	2.0180	4.6029	3.0558	2.7312	4.0579	3.0185		1.6530	1.0683
H9	2.7543	1.9916	3.8389	2.3344	2.2739	2.9968	2.0171	1.6530		1.0711
N10	2.0840	1.5010	3.9476	2.4925	2.8001	3.7269	2.6935	1.0683	1.0711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	109.796	H1	N2	N10	108.056
N2	C4	S3	125.669	N2	C4	N7	108.198
N2	N10	H8	102.210	N2	N10	H9	100.145
S3	C4	N7	126.124	C4	N2	N10	115.706
C4	N7	H5	110.282	C4	N7	H6	108.416
H5	N7	H6	106.924	H8	N10	H9	101.187

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: B1B95/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	0.204
2	N	-0.249
3	S	-0.009
4	C	0.008
5	H	0.185
6	H	0.193
7	N	-0.383
8	H	0.162
9	H	0.185
10	N	-0.295

	x	y	z	Total
	0.925	1.951	1.278	2.509
CHELPG
AIM
ESP

	x	y	z
x	7.332	0.525	0.718
y	0.525	3.885	-0.091
z	0.718	-0.091	1.727

<r²>	159.912
(<r²>)^1/2	12.646

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: B1B95/STO-3G

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)