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	hartrees
Energy at 0K	-600.556157
Energy at 298.15K	-600.564268
Nuclear repulsion energy	223.542218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3665	3526	76.10
2	A	3510	3376	22.94
3	A	3476	3344	0.85
4	A	3475	3343	71.57
5	A	3373	3245	0.88
6	A	1724	1658	17.88
7	A	1621	1559	200.76
8	A	1508	1451	149.16
9	A	1449	1394	88.57
10	A	1316	1266	189.15
11	A	1293	1244	1.32
12	A	1152	1108	43.45
13	A	1000	962	28.39
14	A	850	818	24.31
15	A	770	741	125.64
16	A	767	738	150.53
17	A	651	626	35.17
18	A	583	560	317.07
19	A	546	525	1.68
20	A	509	490	1.52
21	A	387	372	3.01
22	A	358	345	24.30
23	A	308	296	16.03
24	A	144	139	13.96

Atom	x (Å)	y (Å)	z (Å)
H1	0.598	-1.716	0.001
N2	0.845	-0.729	-0.000
S3	-1.781	-0.337	0.000
C4	-0.182	0.185	-0.000
H5	1.220	1.651	-0.000
H6	-0.476	2.206	-0.000
N7	0.217	1.471	0.000
H8	2.693	-0.573	-0.848
H9	2.692	-0.573	0.848
N10	2.203	-0.271	0.000

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0172	2.7496	2.0547	3.4240	4.0666	3.2099	2.5321	2.5320	2.1592
N2	1.0172		2.6552	1.3750	2.4096	3.2191	2.2884	2.0384	2.0385	1.4328
S3	2.7496	2.6552		1.6822	3.6000	2.8587	2.6950	4.5593	4.5588	3.9843
C4	2.0547	1.3750	1.6822		2.0285	2.0425	1.3467	3.0912	3.0909	2.4280
H5	3.4240	2.4096	3.6000	2.0285		1.7847	1.0190	2.7991	2.7985	2.1591
H6	4.0666	3.2191	2.8587	2.0425	1.7847		1.0103	4.2995	4.2987	3.6490
N7	3.2099	2.2884	2.6950	1.3467	1.0190	1.0103		3.3208	3.3200	2.6420
H8	2.5321	2.0384	4.5593	3.0912	2.7991	4.2995	3.3208		1.6959	1.0245
H9	2.5320	2.0385	4.5588	3.0909	2.7985	4.2987	3.3200	1.6959		1.0245
N10	2.1592	1.4328	3.9843	2.4280	2.1591	3.6490	2.6420	1.0245	1.0245

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	117.612	H1	N2	N10	122.698
N2	C4	S3	120.238	N2	C4	N7	114.443
N2	N10	H8	111.012	N2	N10	H9	111.020
S3	C4	N7	125.319	C4	N2	N10	119.690
C4	N7	H5	117.395	C4	N7	H6	119.445
H5	N7	H6	123.160	H8	N10	H9	111.721

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: B3LYP/3-21G*

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	0.334
2	N	-0.555
3	S	-0.243
4	C	0.455
5	H	0.330
6	H	0.336
7	N	-0.757
8	H	0.305
9	H	0.305
10	N	-0.512

	x	y	z	Total
	6.296	0.309	0.001	6.304
CHELPG
AIM
ESP

<r²>	162.460
(<r²>)^1/2	12.746

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: B3LYP/3-21G*

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)