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	hartrees
Energy at 0K	-256.767613
Energy at 298.15K	-256.773434
HF Energy	-256.767613
Nuclear repulsion energy	169.806830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3927	3551	153.20
2	A'	3472	3139	1.01
3	A'	1715	1551	24.60
4	A'	1624	1468	13.09
5	A'	1544	1396	37.85
6	A'	1425	1288	1.27
7	A'	1256	1136	19.78
8	A'	1200	1085	34.47
9	A'	1179	1066	26.07
10	A'	1112	1005	0.91
11	A'	1090	986	1.93
12	A"	1008	911	12.89
13	A"	810	732	8.43
14	A"	746	675	8.96
15	A"	632	572	119.26

Atom	x (Å)	y (Å)
C1	1.053	0.226
N2	0.000	1.040
N3	-1.095	0.291
N4	-0.717	-0.902
N5	0.621	-0.990
H6	2.074	0.541
H7	-0.059	2.031

	C1	N2	N3	N4	N5	H6	H7
C1		1.3308	2.1491	2.0990	1.2904	1.0682	2.1204
N2	1.3308		1.3261	2.0699	2.1223	2.1329	0.9933
N3	2.1491	1.3261		1.2521	2.1415	3.1786	2.0246
N4	2.0990	2.0699	1.2521		1.3408	3.1418	3.0061
N5	1.2904	2.1223	2.1415	1.3408		2.1106	3.0966
H6	1.0682	2.1329	3.1786	3.1418	2.1106		2.6020
H7	2.1204	0.9933	2.0246	3.0061	3.0966	2.6020

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	107.969	C1	N2	H7	131.113
C1	N5	N4	105.818	N2	C1	N5	108.120
N2	C1	H6	125.156	N2	N3	N4	106.769
N3	N2	H7	120.918	N3	N4	N5	111.324
N5	C1	H6	126.724

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

using model chemistry: HF/6-31+G**

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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Number	Element	Mulliken
1	C	0.133
2	N	-0.408
3	N	0.016
4	N	0.021
5	N	-0.342
6	H	0.208
7	H	0.373

	x	y	z	Total
	2.747	5.065	0.000	5.762
CHELPG
AIM
ESP

	x	y	z
x	5.715	0.032	0.000
y	0.032	5.813	0.000
z	0.000	0.000	3.326

<r²>	68.842
(<r²>)^1/2	8.297

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

using model chemistry: HF/6-31+G**

States and conformations

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