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	hartrees
Energy at 0K	-258.069960
Energy at 298.15K	-258.075565
HF Energy	-257.789370
Nuclear repulsion energy	165.931432

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3659	3519	98.11
2	A'	3313	3187	2.46
3	A'	1490	1433	17.12
4	A'	1456	1400	9.49
5	A'	1257	1209	1.61
6	A'	1249	1201	10.84
7	A'	1138	1095	13.86
8	A'	1060	1020	30.69
9	A'	1049	1009	13.61
10	A'	1004	965	0.29
11	A'	958	922	3.83
12	A"	848	816	19.83
13	A"	732	704	8.10
14	A"	689	662	8.62
15	A"	589	566	77.56

Atom	x (Å)	y (Å)
C1	1.072	0.238
N2	0.000	1.058
N3	-1.125	0.307
N4	-0.725	-0.932
N5	0.640	-1.013
H6	2.103	0.566
H7	-0.059	2.068

	C1	N2	N3	N4	N5	H6	H7
C1		1.3496	2.1981	2.1444	1.3226	1.0825	2.1511
N2	1.3496		1.3534	2.1187	2.1675	2.1599	1.0112
N3	2.1981	1.3534		1.3018	2.2041	3.2389	2.0588
N4	2.1444	2.1187	1.3018		1.3682	3.2009	3.0731
N5	1.3226	2.1675	2.2041	1.3682		2.1521	3.1587
H6	1.0825	2.1599	3.2389	3.2009	2.1521		2.6326
H7	2.1511	1.0112	2.0588	3.0731	3.1587	2.6326

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.818	C1	N2	H7	130.800
C1	N5	N4	105.668	N2	C1	N5	108.412
N2	C1	H6	124.906	N2	N3	N4	105.849
N3	N2	H7	120.382	N3	N4	N5	111.253
N5	C1	H6	126.681

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

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

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-pVDZ

States and conformations

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