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	hartrees
Energy at 0K	-603.535695
Energy at 298.15K	-603.543182
Nuclear repulsion energy	224.323248

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3734	3586	76.35
2	A	3577	3435	28.97
3	A	3572	3430	55.98
4	A	3540	3399	1.91
5	A	3451	3314	4.09
6	A	1721	1652	33.33
7	A	1631	1567	234.37
8	A	1533	1472	187.81
9	A	1470	1411	27.50
10	A	1324	1272	1.84
11	A	1305	1253	198.79
12	A	1186	1139	33.31
13	A	1023	982	33.35
14	A	931	894	101.02
15	A	827	795	46.59
16	A	678	651	1.39
17	A	611	587	1.40
18	A	518	498	12.31
19	A	498	478	36.99
20	A	396	380	98.82
21	A	382	367	162.53
22	A	300	288	22.95
23	A	145	140	69.08
24	A	74	71	22.62

Atom	x (Å)	y (Å)	z (Å)
H1	-0.614	-1.678	0.031
N2	-0.864	-0.701	-0.071
S3	1.765	-0.360	0.014
C4	0.174	0.188	-0.016
H5	-1.163	1.737	-0.037
H6	0.542	2.184	-0.010
N7	-0.183	1.486	0.000
H8	-2.608	-0.591	0.907
H9	-2.737	-0.647	-0.743
N10	-2.195	-0.268	0.032

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0135	2.7195	2.0264	3.4600	4.0318	3.1936	2.4342	2.4845	2.1190
N2	1.0135		2.6526	1.3686	2.4572	3.2107	2.2923	2.0019	1.9906	1.4036
S3	2.7195	2.6526		1.6827	3.6019	2.8227	2.6840	4.4691	4.5741	3.9614
C4	2.0264	1.3686	1.6827		2.0466	2.0296	1.3465	3.0331	3.1146	2.4137
H5	3.4600	2.4572	3.6019	2.0466		1.7632	1.0121	2.8983	2.9425	2.2567
H6	4.0318	3.2107	2.8227	2.0296	1.7632		1.0069	4.2972	4.3937	3.6757
N7	3.1936	2.2923	2.6840	1.3465	1.0121	1.0069		3.3189	3.4092	2.6697
H8	2.4342	2.0019	4.4691	3.0331	2.8983	4.2972	3.3189		1.6558	1.0199
H9	2.4845	1.9906	4.5741	3.1146	2.9425	4.3937	3.4092	1.6558		1.0182
N10	2.1190	1.4036	3.9614	2.4137	2.2567	3.6757	2.6697	1.0199	1.0182

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	115.771	H1	N2	N10	121.649
N2	C4	S3	120.418	N2	C4	N7	115.190
N2	N10	H8	110.392	N2	N10	H9	109.531
S3	C4	N7	124.390	C4	N2	N10	121.072
C4	N7	H5	119.721	C4	N7	H6	118.469
H5	N7	H6	121.691	H8	N10	H9	108.666

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: B3LYP/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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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	0.346
2	N	-0.466
3	S	-0.344
4	C	0.384
5	H	0.359
6	H	0.362
7	N	-0.719
8	H	0.330
9	H	0.334
10	N	-0.586

	x	y	z	Total
	-5.980	0.452	0.197	6.001
CHELPG	-0.639	3.980	0.687	4.089
AIM
ESP	-0.631	3.973	0.704	4.084

	x	y	z
x	8.096	-0.484	-0.075
y	-0.484	9.421	0.011
z	-0.075	0.011	3.971

<r²>	151.003
(<r²>)^1/2	12.288

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: B3LYP/6-31G*

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)