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	hartrees
Energy at 0K	-257.619299
Energy at 298.15K	-257.624901
HF Energy	-256.791802
Nuclear repulsion energy	165.834416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3694	3559	104.72
2	A'	3315	3194	1.48
3	A'	1529	1473	19.37
4	A'	1488	1434	13.33
5	A'	1326	1278	15.05
6	A'	1280	1233	0.19
7	A'	1150	1107	12.35
8	A'	1081	1042	24.85
9	A'	1060	1021	21.69
10	A'	1011	974	0.42
11	A'	967	932	2.37
12	A"	866	834	18.30
13	A"	730	703	7.61
14	A"	686	661	6.69
15	A"	553	532	84.15

Atom	x (Å)	y (Å)
C1	1.073	0.233
N2	0.000	1.062
N3	-1.119	0.303
N4	-0.731	-0.926
N5	0.637	-1.015
H6	2.110	0.558
H7	-0.060	2.072

	C1	N2	N3	N4	N5	H6	H7
C1		1.3560	2.1927	2.1432	1.3209	1.0870	2.1601
N2	1.3560		1.3520	2.1177	2.1722	2.1691	1.0113
N3	2.1927	1.3520		1.2885	2.1954	3.2387	2.0610
N4	2.1432	2.1177	1.2885		1.3708	3.2047	3.0712
N5	1.3209	2.1722	2.1954	1.3708		2.1546	3.1639
H6	1.0870	2.1691	3.2387	3.2047	2.1546		2.6457
H7	2.1601	1.0113	2.0610	3.0712	3.1639	2.6457

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.132	C1	N2	H7	131.140
C1	N5	N4	105.531	N2	C1	N5	108.465
N2	C1	H6	124.845	N2	N3	N4	106.619
N3	N2	H7	120.727	N3	N4	N5	111.254
N5	C1	H6	126.691

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

using model chemistry: CCSD/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: CCSD/aug-cc-pVDZ

States and conformations

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