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	hartrees
Energy at 0K	-603.411236
Energy at 298.15K	-603.418671
Nuclear repulsion energy	225.111310

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3758	3595	84.31
2	A	3598	3442	20.36
3	A	3590	3435	72.62
4	A	3570	3415	3.26
5	A	3480	3329	3.46
6	A	1724	1650	41.06
7	A	1633	1563	256.49
8	A	1547	1480	201.84
9	A	1479	1415	16.24
10	A	1329	1271	0.71
11	A	1312	1255	196.47
12	A	1204	1152	27.70
13	A	1037	992	32.01
14	A	927	887	106.59
15	A	835	799	49.99
16	A	684	654	0.46
17	A	613	586	0.28
18	A	522	499	1.57
19	A	497	475	32.01
20	A	395	378	208.82
21	A	388	371	81.40
22	A	302	289	15.47
23	A	147	140	75.85
24	A	35	33	16.42

Atom	x (Å)	y (Å)	z (Å)
H1	-0.609	-1.679	0.015
N2	-0.861	-0.700	-0.031
S3	1.759	-0.357	0.006
C4	0.174	0.188	-0.007
H5	-1.167	1.727	-0.018
H6	0.537	2.182	-0.007
N7	-0.186	1.482	0.001
H8	-2.638	-0.600	0.863
H9	-2.695	-0.625	-0.792
N10	-2.185	-0.270	0.013

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0127	2.7127	2.0251	3.4521	4.0277	3.1896	2.4500	2.4723	2.1143
N2	1.0127		2.6430	1.3638	2.4461	3.2028	2.2840	1.9919	1.9870	1.3928
S3	2.7127	2.6430		1.6765	3.5929	2.8178	2.6769	4.4870	4.5332	3.9455
C4	2.0251	1.3638	1.6765		2.0415	2.0265	1.3430	3.0475	3.0836	2.4033
H5	3.4521	2.4461	3.5929	2.0415		1.7637	1.0117	2.8906	2.9100	2.2418
H6	4.0277	3.2028	2.8178	2.0265	1.7637		1.0060	4.3100	4.3523	3.6635
N7	3.1896	2.2840	2.6769	1.3430	1.0117	1.0060		3.3305	3.3713	2.6583
H8	2.4500	1.9919	4.4870	3.0475	2.8906	4.3100	3.3305		1.6565	1.0180
H9	2.4723	1.9870	4.5332	3.0836	2.9100	4.3523	3.3713	1.6565		1.0173
N10	2.1143	1.3928	3.9455	2.4033	2.2418	3.6635	2.6583	1.0180	1.0173

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	116.110	H1	N2	N10	122.250
N2	C4	S3	120.414	N2	C4	N7	115.077
N2	N10	H8	110.464	N2	N10	H9	110.086
S3	C4	N7	124.509	C4	N2	N10	121.345
C4	N7	H5	119.557	C4	N7	H6	118.534
H5	N7	H6	121.875	H8	N10	H9	108.948

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: B3PW91/6-31G*

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	0.367
2	N	-0.493
3	S	-0.331
4	C	0.371
5	H	0.378
6	H	0.381
7	N	-0.756
8	H	0.348
9	H	0.350
10	N	-0.615

	x	y	z	Total
	-6.071	0.437	0.083	6.087
CHELPG
AIM
ESP	-0.595	4.033	0.717	4.139

	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>	149.826
(<r²>)^1/2	12.240

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)