CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	326.60	kJ mol^-1	TRC
Hfg(0K)	342.00	kJ mol^-1	TRC
Entropy (298.15K)	268.35	J K^-1 mol^-1	TRC
Integrated Heat Capacity (0 to 298.15K)	11.48	kJ mol^-1	TRC

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	A'	3447		2000Bil/End:183
2	A'	3102		2000Bil/End:183
3	A'	1441		2000Bil/End:183
4	A'	1384		2000Bil/End:183
5	A'	1259		2000Bil/End:183
6	A'	1159		2000Bil/End:183
7	A'	1084		2000Bil/End:183
8	A'	1015		2000Bil/End:183
9	A'	1002		2000Bil/End:183
10	A'	969		2000Bil/End:183
11	A'	925		2000Bil/End:183
12	A"	906		2000Bil/End:183
13	A"	663		2000Bil/End:183
14	A"	658		2000Bil/End:183
15	A"	578		2000Bil/End:183

Bond Type	Count
H-C	1
H-N	1
C-N	1
C=N	1
N-N	2
N=N	1

Atom 1	Atom 2
C1	N2
C1	N5
C1	H6
N2	N3
N2	H7
N3	N4
N4	N5

State	Config	State description	Conf description	Exp. min.	Dipole (Debye)				Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	x	y	z	total	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A^'	C_s	True							C_s	2	3

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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squib	reference	DOI
2000Bil/End:183	Billes, Endredi, and Keresztury. Vibrational spectroscopy of triazoles and tetrazole. J. Mol. Struct. (Theochem). Vol. 530. pgs. 183-200.	10.1016/S0166-1280(00)00340-7
TRC	Frenkel, M; Marsh, K.N.; Wilhoit, R.C.; Kabo, G.J.; Roganov, G.N.,Thermodynamics of Organic Compounds in the Gas State,Thermodynamics Research Center, College Station, TX, 1994
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for CH2N4 (1H-Tetrazole)

Experimental data for CH₂N₄ (1H-Tetrazole)