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	hartrees
Energy at 0K	-603.473518
Energy at 298.15K	-603.480953
Nuclear repulsion energy	222.935959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3640	3620	63.64
2	A	3469	3450	29.64
3	A	3456	3437	22.31
4	A	3420	3401	1.54
5	A	3331	3313	6.11
6	A	1639	1630	20.30
7	A	1553	1544	196.02
8	A	1444	1436	148.08
9	A	1408	1400	20.75
10	A	1271	1264	3.44
11	A	1248	1241	155.73
12	A	1125	1119	42.57
13	A	972	967	25.83
14	A	885	880	69.27
15	A	797	793	36.87
16	A	646	643	3.92
17	A	592	589	4.64
18	A	508	505	37.60
19	A	486	483	16.21
20	A	378	376	15.30
21	A	356	354	142.98
22	A	282	281	32.13
23	A	160	159	33.42
24	A	106	105	35.02

Atom	x (Å)	y (Å)	z (Å)
H1	-0.613	-1.678	0.056
N2	-0.868	-0.706	-0.118
S3	1.770	-0.364	0.023
C4	0.179	0.190	-0.025
H5	-1.161	1.749	-0.079
H6	0.552	2.194	-0.037
N7	-0.180	1.498	0.006
H8	-2.573	-0.575	0.960
H9	-2.789	-0.695	-0.678
N10	-2.212	-0.264	0.050

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0199	2.7212	2.0301	3.4726	4.0437	3.2049	2.4247	2.4982	2.1344
N2	1.0199		2.6642	1.3810	2.4720	3.2293	2.3115	2.0216	2.0011	1.4243
S3	2.7212	2.6642		1.6857	3.6152	2.8338	2.6964	4.4488	4.6248	3.9835
C4	2.0301	1.3810	1.6857		2.0566	2.0381	1.3565	3.0221	3.1654	2.4348
H5	3.4726	2.4720	3.6152	2.0566		1.7707	1.0166	2.9109	2.9966	2.2739
H6	4.0437	3.2293	2.8338	2.0381	1.7707		1.0110	4.2928	4.4629	3.6994
N7	3.2049	2.3115	2.6964	1.3565	1.0166	1.0110		3.3066	3.4761	2.6894
H8	2.4247	2.0216	4.4488	3.0221	2.9109	4.2928	3.3066		1.6572	1.0275
H9	2.4982	2.0011	4.6248	3.1654	2.9966	4.4629	3.4761	1.6572		1.0246
N10	2.1344	1.4243	3.9835	2.4348	2.2739	3.6994	2.6894	1.0275	1.0246

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	114.630	H1	N2	N10	120.792
N2	C4	S3	120.305	N2	C4	N7	115.208
N2	N10	H8	110.027	N2	N10	H9	108.500
S3	C4	N7	124.483	C4	N2	N10	120.427
C4	N7	H5	119.454	C4	N7	H6	118.098
H5	N7	H6	121.684	H8	N10	H9	107.709

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: BLYP/6-31G(2df,p)

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	H	0.243
2	N	-0.254
3	S	-0.525
4	C	0.444
5	H	0.243
6	H	0.260
7	N	-0.459
8	H	0.239
9	H	0.244
10	N	-0.434

	x	y	z	Total
	-5.622	0.541	0.224	5.653
CHELPG
AIM
ESP

	x	y	z
x	12.033	-0.471	0.042
y	-0.471	7.968	-0.022
z	0.042	-0.022	4.832

<r²>	163.531
(<r²>)^1/2	12.788

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)