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	hartrees
Energy at 0K	-258.024368
Energy at 298.15K	-258.029965
HF Energy	-257.751624
Nuclear repulsion energy	166.266797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3701	3701	96.71
2	A'	3340	3340	1.42
3	A'	1512	1512	18.92
4	A'	1475	1475	10.70
5	A'	1275	1275	1.27
6	A'	1269	1269	14.59
7	A'	1158	1158	14.90
8	A'	1071	1071	29.62
9	A'	1055	1055	14.59
10	A'	1010	1010	0.50
11	A'	969	969	3.77
12	A"	852	852	18.34
13	A"	736	736	9.89
14	A"	693	693	11.00
15	A"	583	583	86.38

Atom	x (Å)	y (Å)
C1	1.069	0.238
N2	0.000	1.057
N3	-1.125	0.304
N4	-0.723	-0.931
N5	0.642	-1.009
H6	2.094	0.566
H7	-0.060	2.063

	C1	N2	N3	N4	N5	H6	H7
C1		1.3466	2.1950	2.1393	1.3177	1.0761	2.1459
N2	1.3466		1.3537	2.1148	2.1628	2.1504	1.0078
N3	2.1950	1.3537		1.2984	2.2009	3.2295	2.0562
N4	2.1393	2.1148	1.2984		1.3669	3.1897	3.0659
N5	1.3177	2.1628	2.2009	1.3669		2.1421	3.1505
H6	1.0761	2.1504	3.2295	3.1897	2.1421		2.6227
H7	2.1459	1.0078	2.0562	3.0659	3.1505	2.6227

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.758	C1	N2	H7	130.870
C1	N5	N4	105.649	N2	C1	N5	108.533
N2	C1	H6	124.780	N2	N3	N4	105.748
N3	N2	H7	120.372	N3	N4	N5	111.313
N5	C1	H6	126.688

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for CH2N4 (1H-Tetrazole)

using model chemistry: B2PLYP=FULL/6-31G**

States and conformations

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