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	hartrees
Energy at 0K	-258.263309
Energy at 298.15K	-258.268759
HF Energy	-258.263309
Nuclear repulsion energy	164.650565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3537	3528	44.08
2	A'	3195	3187	0.11
3	A'	1441	1438	16.25
4	A'	1388	1385	7.70
5	A'	1208	1205	0.57
6	A'	1192	1189	15.10
7	A'	1100	1097	19.11
8	A'	1010	1007	19.27
9	A'	970	968	2.39
10	A'	926	924	14.04
11	A'	873	871	8.57
12	A"	803	801	23.51
13	A"	706	704	7.66
14	A"	667	666	9.50
15	A"	548	546	84.54

Atom	x (Å)	y (Å)
C1	1.077	0.240
N2	0.000	1.068
N3	-1.140	0.300
N4	-0.731	-0.938
N5	0.655	-1.015
H6	2.110	0.573
H7	-0.065	2.083

	C1	N2	N3	N4	N5	H6	H7
C1		1.3586	2.2177	2.1588	1.3241	1.0847	2.1677
N2	1.3586		1.3743	2.1355	2.1835	2.1670	1.0167
N3	2.2177	1.3743		1.3039	2.2250	3.2608	2.0816
N4	2.1588	2.1355	1.3039		1.3888	3.2181	3.0936
N5	1.3241	2.1835	2.2250	1.3888		2.1532	3.1801
H6	1.0847	2.1670	3.2608	3.2181	2.1532		2.6473
H7	2.1677	1.0167	2.0816	3.0936	3.1801	2.6473

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.484	C1	N2	H7	131.199
C1	N5	N4	105.425	N2	C1	N5	108.955
N2	C1	H6	124.599	N2	N3	N4	105.733
N3	N2	H7	120.316	N3	N4	N5	111.403
N5	C1	H6	126.447

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	0.108
2	N	-0.391
3	N	-0.012
4	N	-0.087
5	N	-0.205
6	H	0.234
7	H	0.354

	x	y	z	Total
	2.397	4.668	0.000	5.247
CHELPG
AIM
ESP

	x	y	z
x	6.027	0.164	0.000
y	0.164	5.991	0.000
z	0.000	0.000	2.619

<r²>	71.763
(<r²>)^1/2	8.471

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

using model chemistry: BLYP/6-311G*

States and conformations

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