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	hartrees
Energy at 0K	-258.191438
Energy at 298.15K	-258.197066
HF Energy	-257.843766
Nuclear repulsion energy	167.041991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3664	3516	99.04
2	A'	3305	3171	2.28
3	A'	1496	1435	17.17
4	A'	1456	1397	10.13
5	A'	1264	1213	0.71
6	A'	1252	1201	12.18
7	A'	1146	1100	15.36
8	A'	1062	1019	28.75
9	A'	1040	998	13.61
10	A'	1010	969	0.09
11	A'	959	920	4.95
12	A"	875	840	16.78
13	A"	742	711	8.80
14	A"	695	667	7.26
15	A"	602	577	78.52

Atom	x (Å)	y (Å)
C1	1.065	0.236
N2	0.000	1.052
N3	-1.118	0.302
N4	-0.722	-0.926
N5	0.638	-1.004
H6	2.087	0.562
H7	-0.061	2.055

	C1	N2	N3	N4	N5	H6	H7
C1		1.3410	2.1837	2.1311	1.3120	1.0728	2.1387
N2	1.3410		1.3461	2.1055	2.1527	2.1434	1.0049
N3	2.1837	1.3461		1.2908	2.1886	3.2153	2.0468
N4	2.1311	2.1055	1.2908		1.3615	3.1782	3.0534
N5	1.3120	2.1527	2.1886	1.3615		2.1338	3.1379
H6	1.0728	2.1434	3.2153	3.1782	2.1338		2.6155
H7	2.1387	1.0049	2.0468	3.0534	3.1379	2.6155

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.707	C1	N2	H7	130.935
C1	N5	N4	105.700	N2	C1	N5	108.466
N2	C1	H6	124.868	N2	N3	N4	105.948
N3	N2	H7	120.358	N3	N4	N5	111.178
N5	C1	H6	126.666

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

using model chemistry: B2PLYP=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: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

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