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	hartrees
Energy at 0K	-257.137931
Energy at 298.15K	-257.143497
HF Energy	-256.581999
Nuclear repulsion energy	162.696309

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3719	3569	121.23
2	A'	3322	3187	2.44
3	A'	1510	1449	45.09
4	A'	1447	1388	10.06
5	A'	1253	1202	3.31
6	A'	1199	1151	11.62
7	A'	1143	1097	14.24
8	A'	1041	999	9.86
9	A'	1009	969	1.15
10	A'	983	944	22.33
11	A'	826	793	11.05
12	A"	842	808	27.90
13	A"	714	685	51.07
14	A"	702	674	70.07
15	A"	651	625	52.45

Atom	x (Å)	y (Å)
C1	1.097	0.250
N2	0.000	1.072
N3	-1.138	0.296
N4	-0.746	-0.952
N5	0.650	-1.010
H6	2.128	0.574
H7	-0.065	2.077

	C1	N2	N3	N4	N5	H6	H7
C1		1.3708	2.2358	2.2004	1.3371	1.0803	2.1652
N2	1.3708		1.3780	2.1575	2.1815	2.1853	1.0068
N3	2.2358	1.3780		1.3081	2.2145	3.2779	2.0795
N4	2.2004	2.1575	1.3081		1.3974	3.2536	3.1046
N5	1.3371	2.1815	2.2145	1.3974		2.1660	3.1689
H6	1.0803	2.1853	3.2779	3.2536	2.1660		2.6588
H7	2.1652	1.0068	2.0795	3.1046	3.1689	2.6588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.852	C1	N2	H7	130.569
C1	N5	N4	107.142	N2	C1	N5	107.329
N2	C1	H6	125.724	N2	N3	N4	106.842
N3	N2	H7	120.579	N3	N4	N5	109.835
N5	C1	H6	126.947

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

using model chemistry: CCD/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: CCD/6-31G

States and conformations

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