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	hartrees
Energy at 0K	-603.488548
Energy at 298.15K	-603.496127
Nuclear repulsion energy	225.577739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3781	3586	87.50
2	A	3625	3438	23.87
3	A	3614	3428	75.99
4	A	3600	3414	4.53
5	A	3508	3327	2.90
6	A	1735	1646	44.31
7	A	1646	1561	263.22
8	A	1562	1481	205.29
9	A	1491	1414	16.47
10	A	1338	1269	0.91
11	A	1323	1255	200.84
12	A	1215	1152	26.25
13	A	1048	994	33.34
14	A	936	888	108.93
15	A	843	799	51.43
16	A	689	654	0.98
17	A	618	586	0.84
18	A	527	500	4.26
19	A	507	480	35.00
20	A	403	382	230.02
21	A	391	371	66.29
22	A	305	289	17.36
23	A	173	164	64.49
24	A	67	63	21.01

Atom	x (Å)	y (Å)	z (Å)
H1	-0.608	-1.677	0.023
N2	-0.859	-0.700	-0.044
S3	1.756	-0.355	0.008
C4	0.173	0.187	-0.010
H5	-1.167	1.721	-0.032
H6	0.534	2.176	-0.017
N7	-0.187	1.478	0.004
H8	-2.619	-0.586	0.878
H9	-2.701	-0.631	-0.773
N10	-2.179	-0.269	0.019

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0108	2.7091	2.0207	3.4441	4.0190	3.1823	2.4415	2.4711	2.1092
N2	1.0108		2.6389	1.3609	2.4407	3.1960	2.2792	1.9897	1.9821	1.3899
S3	2.7091	2.6389		1.6739	3.5859	2.8114	2.6715	4.4670	4.5338	3.9367
C4	2.0207	1.3609	1.6739		2.0372	2.0222	1.3402	3.0298	3.0839	2.3960
H5	3.4441	2.4407	3.5859	2.0372		1.7606	1.0100	2.8748	2.9049	2.2339
H6	4.0190	3.1960	2.8114	2.0222	1.7606		1.0044	4.2868	4.3496	3.6529
N7	3.1823	2.2792	2.6715	1.3402	1.0100	1.0044		3.3074	3.3718	2.6494
H8	2.4415	1.9897	4.4670	3.0298	2.8748	4.2868	3.3074		1.6541	1.0162
H9	2.4711	1.9821	4.5338	3.0839	2.9049	4.3496	3.3718	1.6541		1.0152
N10	2.1092	1.3899	3.9367	2.3960	2.2339	3.6529	2.6494	1.0162	1.0152

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	116.077	H1	N2	N10	122.153
N2	C4	S3	120.457	N2	C4	N7	115.083
N2	N10	H8	110.617	N2	N10	H9	110.024
S3	C4	N7	124.460	C4	N2	N10	121.148
C4	N7	H5	119.519	C4	N7	H6	118.491
H5	N7	H6	121.845	H8	N10	H9	109.032

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: mPW1PW91/6-31G*

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	0.371
2	N	-0.500
3	S	-0.329
4	C	0.372
5	H	0.382
6	H	0.385
7	N	-0.764
8	H	0.351
9	H	0.353
10	N	-0.620

	x	y	z	Total
	-6.088	0.440	0.098	6.105
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	160.217
(<r²>)^1/2	12.658

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: mPW1PW91/6-31G*

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)