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	hartrees
Energy at 0K	-257.147074
Energy at 298.15K	-257.152567
HF Energy	-256.580214
Nuclear repulsion energy	162.082302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3699	3565	110.78
2	A'	3312	3191	2.73
3	A'	1490	1436	43.50
4	A'	1415	1363	5.96
5	A'	1237	1192	3.25
6	A'	1199	1156	12.93
7	A'	1135	1094	16.52
8	A'	1021	984	9.52
9	A'	995	959	3.67
10	A'	898	865	20.14
11	A'	766	738	10.94
12	A"	852	821	23.77
13	A"	698	673	14.57
14	A"	681	657	78.74
15	A"	633	610	85.92

Atom	x (Å)	y (Å)
C1	1.098	0.251
N2	0.000	1.075
N3	-1.141	0.295
N4	-0.747	-0.953
N5	0.652	-1.011
H6	2.129	0.575
H7	-0.065	2.080

	C1	N2	N3	N4	N5	H6	H7
C1		1.3727	2.2397	2.2028	1.3385	1.0805	2.1678
N2	1.3727		1.3824	2.1606	2.1854	2.1867	1.0075
N3	2.2397	1.3824		1.3082	2.2184	3.2821	2.0845
N4	2.2028	2.1606	1.3082		1.4002	3.2562	3.1083
N5	1.3385	2.1854	2.2184	1.4002		2.1670	3.1734
H6	1.0805	2.1867	3.2821	3.2562	2.1670		2.6608
H7	2.1678	1.0075	2.0845	3.1083	3.1734	2.6608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.767	C1	N2	H7	130.601
C1	N5	N4	107.065	N2	C1	N5	107.421
N2	C1	H6	125.668	N2	N3	N4	106.805
N3	N2	H7	120.632	N3	N4	N5	109.942
N5	C1	H6	126.911

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

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

States and conformations

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