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	hartrees
Energy at 0K	-256.742155
Energy at 298.15K	-256.747400
HF Energy	-256.742155
Nuclear repulsion energy	159.464015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3451	3428	52.83
2	A'	3229	3208	0.77
3	A'	1364	1355	33.31
4	A'	1296	1287	4.19
5	A'	1157	1150	8.83
6	A'	1092	1084	12.27
7	A'	997	991	0.30
8	A'	961	955	7.03
9	A'	922	916	6.45
10	A'	755	750	14.31
11	A'	682	678	9.88
12	A"	862	857	19.82
13	A"	647	643	2.65
14	A"	637	633	32.68
15	A"	560	556	105.39

Atom	x (Å)	y (Å)
C1	1.089	0.268
N2	0.000	1.101
N3	-1.196	0.287
N4	-0.754	-0.986
N5	0.725	-1.024
H6	2.112	0.621
H7	-0.069	2.121

	C1	N2	N3	N4	N5	H6	H7
C1		1.3706	2.2852	2.2286	1.3419	1.0821	2.1847
N2	1.3706		1.4467	2.2186	2.2446	2.1655	1.0226
N3	2.2852	1.4467		1.3482	2.3260	3.3249	2.1527
N4	2.2286	2.2186	1.3482		1.4790	3.2850	3.1816
N5	1.3419	2.2446	2.3260	1.4790		2.1511	3.2432
H6	1.0821	2.1655	3.3249	3.2850	2.1511		2.6466
H7	2.1847	1.0226	2.1527	3.1816	3.2432	2.6466

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.382	C1	N2	H7	131.262
C1	N5	N4	104.271	N2	C1	N5	111.682
N2	C1	H6	123.559	N2	N3	N4	105.029
N3	N2	H7	120.356	N3	N4	N5	110.636
N5	C1	H6	124.759

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

using model chemistry: BLYP/3-21G*

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	0.304
2	N	-0.470
3	N	-0.036
4	N	-0.076
5	N	-0.308
6	H	0.245
7	H	0.340

	x	y	z	Total
	2.277	4.691	0.000	5.214
CHELPG
AIM
ESP

	x	y	z
x	5.454	0.200	0.000
y	0.200	5.449	0.000
z	0.000	0.000	1.694

<r²>	75.182
(<r²>)^1/2	8.671

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

using model chemistry: BLYP/3-21G*

States and conformations

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