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	hartrees
Energy at 0K	-258.106974
Energy at 298.15K	-258.112580
HF Energy	-257.804303
Nuclear repulsion energy	166.595102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3694	3694	82.94
2	A'	3311	3311	0.71
3	A'	1515	1515	20.44
4	A'	1469	1469	8.84
5	A'	1270	1270	1.85
6	A'	1266	1266	14.21
7	A'	1153	1153	16.44
8	A'	1071	1071	28.92
9	A'	1047	1047	15.18
10	A'	1015	1015	0.19
11	A'	964	964	5.00
12	A"	850	850	22.26
13	A"	737	737	10.53
14	A"	697	697	12.88
15	A"	591	591	88.13

Atom	x (Å)	y (Å)
C1	1.067	0.231
N2	0.000	1.056
N3	-1.116	0.301
N4	-0.725	-0.921
N5	0.636	-1.008
H6	2.095	0.554
H7	-0.062	2.061

	C1	N2	N3	N4	N5	H6	H7
C1		1.3492	2.1845	2.1310	1.3121	1.0770	2.1503
N2	1.3492		1.3476	2.1063	2.1599	2.1542	1.0065
N3	2.1845	1.3476		1.2830	2.1867	3.2208	2.0514
N4	2.1310	2.1063	1.2830		1.3638	3.1826	3.0549
N5	1.3121	2.1599	2.1867	1.3638		2.1375	3.1471
H6	1.0770	2.1542	3.2208	3.1826	2.1375		2.6311
H7	2.1503	1.0065	2.0514	3.0549	3.1471	2.6311

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.198	C1	N2	H7	131.244
C1	N5	N4	105.560	N2	C1	N5	108.501
N2	C1	H6	124.839	N2	N3	N4	106.362
N3	N2	H7	120.559	N3	N4	N5	111.379
N5	C1	H6	126.660

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

using model chemistry: B2PLYP=FULL/6-311G*

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/6-311G*

States and conformations

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