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	hartrees
Energy at 0K	-257.909622
Energy at 298.15K	-257.915292
HF Energy	-256.846171
Nuclear repulsion energy	167.176280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3671	3493	115.30
2	A'	3329	3168	3.96
3	A'	1489	1417	9.91
4	A'	1476	1404	20.06
5	A'	1266	1205	1.11
6	A'	1196	1138	2.08
7	A'	1149	1093	9.22
8	A'	1117	1063	13.40
9	A'	1087	1034	32.58
10	A'	1013	963	2.86
11	A'	966	920	2.90
12	A"	862	820	19.28
13	A"	745	709	18.56
14	A"	705	671	15.04
15	A"	652	620	56.63

Atom	x (Å)	y (Å)
C1	1.065	0.236
N2	0.000	1.047
N3	-1.115	0.316
N4	-0.717	-0.931
N5	0.630	-1.007
H6	2.085	0.561
H7	-0.060	2.050

	C1	N2	N3	N4	N5	H6	H7
C1		1.3384	2.1810	2.1300	1.3167	1.0704	2.1345
N2	1.3384		1.3328	2.1037	2.1481	2.1404	1.0050
N3	2.1810	1.3328		1.3090	2.1898	3.2087	2.0293
N4	2.1300	2.1037	1.3090		1.3494	3.1743	3.0524
N5	1.3167	2.1481	2.1898	1.3494		2.1388	3.1338
H6	1.0704	2.1404	3.2087	3.1743	2.1388		2.6108
H7	2.1345	1.0050	2.0293	3.0524	3.1338	2.6108

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	109.475	C1	N2	H7	130.721
C1	N5	N4	106.050	N2	C1	N5	108.010
N2	C1	H6	125.020	N2	N3	N4	105.552
N3	N2	H7	119.804	N3	N4	N5	110.913
N5	C1	H6	126.970

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

using model chemistry: MP2=FULL/aug-cc-pVTZ

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: MP2=FULL/aug-cc-pVTZ

States and conformations

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