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	hartrees
Energy at 0K	-258.083167
Energy at 298.15K	-258.088789
HF Energy	-257.767156
Nuclear repulsion energy	166.742324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3692	3692	98.75
2	A'	3322	3322	1.73
3	A'	1502	1502	17.57
4	A'	1463	1463	10.15
5	A'	1273	1273	4.22
6	A'	1264	1264	9.48
7	A'	1156	1156	14.34
8	A'	1074	1074	30.91
9	A'	1062	1062	12.86
10	A'	1014	1014	0.94
11	A'	971	971	4.08
12	A"	871	871	13.90
13	A"	744	744	8.51
14	A"	697	697	7.33
15	A"	591	591	77.79

Atom	x (Å)	y (Å)
C1	1.065	0.232
N2	0.000	1.056
N3	-1.115	0.301
N4	-0.724	-0.922
N5	0.636	-1.008
H6	2.090	0.559
H7	-0.062	2.060

	C1	N2	N3	N4	N5	H6	H7
C1		1.3464	2.1812	2.1296	1.3123	1.0754	2.1471
N2	1.3464		1.3463	2.1061	2.1590	2.1483	1.0058
N3	2.1812	1.3463		1.2838	2.1855	3.2152	2.0496
N4	2.1296	2.1061	1.2838		1.3626	3.1800	3.0542
N5	1.3123	2.1590	2.1855	1.3626		2.1373	3.1456
H6	1.0754	2.1483	3.2152	3.1800	2.1373		2.6239
H7	2.1471	1.0058	2.0496	3.0542	3.1456	2.6239

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.203	C1	N2	H7	131.248
C1	N5	N4	105.511	N2	C1	N5	108.588
N2	C1	H6	124.638	N2	N3	N4	106.387
N3	N2	H7	120.549	N3	N4	N5	111.311
N5	C1	H6	126.774

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

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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(2df,p)

States and conformations

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