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	hartrees
Energy at 0K	-603.427666
Energy at 298.15K	-603.435202
Nuclear repulsion energy	225.222835

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3780	3623	90.12
2	A	3618	3467	26.93
3	A	3601	3451	67.44
4	A	3591	3441	4.34
5	A	3498	3352	2.89
6	A	1699	1628	48.04
7	A	1618	1550	266.88
8	A	1538	1474	201.26
9	A	1465	1404	12.14
10	A	1310	1256	0.29
11	A	1302	1248	187.78
12	A	1196	1146	23.84
13	A	1032	989	29.55
14	A	904	866	97.43
15	A	831	796	60.60
16	A	683	655	0.33
17	A	613	587	0.07
18	A	522	500	0.48
19	A	498	477	31.82
20	A	398	382	285.97
21	A	389	373	1.65
22	A	302	289	13.26
23	A	186	178	52.00
24	A	50	48	19.98

Atom	x (Å)	y (Å)	z (Å)
H1	-0.605	-1.679	0.000
N2	-0.860	-0.701	-0.000
S3	1.759	-0.356	-0.000
C4	0.173	0.188	0.000
H5	-1.168	1.720	-0.000
H6	0.537	2.178	-0.000
N7	-0.187	1.481	0.000
H8	-2.668	-0.606	0.828
H9	-2.668	-0.607	-0.828
N10	-2.184	-0.271	-0.000

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0113	2.7096	2.0232	3.4458	4.0223	3.1880	2.4678	2.4677	2.1155
N2	1.0113		2.6420	1.3631	2.4404	3.1992	2.2832	1.9906	1.9906	1.3919
S3	2.7096	2.6420		1.6768	3.5894	2.8135	2.6767	4.5109	4.5109	3.9444
C4	2.0232	1.3631	1.6768		2.0367	2.0224	1.3424	3.0642	3.0645	2.4019
H5	3.4458	2.4404	3.5894	2.0367		1.7653	1.0101	2.8892	2.8897	2.2355
H6	4.0223	3.1992	2.8135	2.0224	1.7653		1.0043	4.3249	4.3253	3.6604
N7	3.1880	2.2832	2.6767	1.3424	1.0101	1.0043		3.3464	3.3469	2.6569
H8	2.4678	1.9906	4.5109	3.0642	2.8892	4.3249	3.3464		1.6566	1.0162
H9	2.4677	1.9906	4.5109	3.0645	2.8897	4.3253	3.3469	1.6566		1.0162
N10	2.1155	1.3919	3.9444	2.4019	2.2355	3.6604	2.6569	1.0162	1.0162

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	116.100	H1	N2	N10	122.560
N2	C4	S3	120.365	N2	C4	N7	115.116
N2	N10	H8	110.541	N2	N10	H9	110.537
S3	C4	N7	124.519	C4	N2	N10	121.340
C4	N7	H5	119.264	C4	N7	H6	118.329
H5	N7	H6	122.408	H8	N10	H9	109.197

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	0.302
2	N	-0.424
3	S	-0.328
4	C	0.356
5	H	0.307
6	H	0.316
7	N	-0.616
8	H	0.293
9	H	0.293
10	N	-0.499

	x	y	z	Total
	-6.091	0.463	-0.000	6.108
CHELPG
AIM
ESP

<r²>	160.680
(<r²>)^1/2	12.676

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)