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	hartrees
Energy at 0K	-258.132327
Energy at 298.15K	-258.137885
HF Energy	-257.828186
Nuclear repulsion energy	166.670470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3668	3500	104.96
2	A'	3314	3163	2.45
3	A'	1502	1433	19.05
4	A'	1456	1389	10.16
5	A'	1266	1208	0.71
6	A'	1254	1196	16.36
7	A'	1151	1098	17.36
8	A'	1060	1012	27.84
9	A'	1025	978	16.40
10	A'	1008	962	0.10
11	A'	950	907	5.91
12	A"	833	794	28.47
13	A"	724	691	10.09
14	A"	687	656	13.55
15	A"	541	516	70.68

Atom	x (Å)	y (Å)
C1	1.067	0.233
N2	0.000	1.055
N3	-1.115	0.298
N4	-0.725	-0.922
N5	0.636	-1.005
H6	2.092	0.555
H7	-0.062	2.060

	C1	N2	N3	N4	N5	H6	H7
C1		1.3471	2.1833	2.1322	1.3105	1.0746	2.1481
N2	1.3471		1.3479	2.1063	2.1559	2.1509	1.0068
N3	2.1833	1.3479		1.2814	2.1828	3.2176	2.0526
N4	2.1322	2.1063	1.2814		1.3636	3.1812	3.0553
N5	1.3105	2.1559	2.1828	1.3636		2.1340	3.1434
H6	1.0746	2.1509	3.2176	3.1812	2.1340		2.6278
H7	2.1481	1.0068	2.0526	3.0553	3.1434	2.6278

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.211	C1	N2	H7	131.168
C1	N5	N4	105.739	N2	C1	N5	108.420
N2	C1	H6	124.912	N2	N3	N4	106.440
N3	N2	H7	120.621	N3	N4	N5	111.190
N5	C1	H6	126.668

All results from a given calculation for CH₂N₄ (1H-Tetrazole)

using model chemistry: B2PLYP=FULL/TZVP

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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All results from a given calculation for CH2N4 (1H-Tetrazole)

using model chemistry: B2PLYP=FULL/TZVP

States and conformations

All results from a given calculation for CH₂N₄ (1H-Tetrazole)