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	hartrees
Energy at 0K	-258.226532
Energy at 298.15K	-258.232207
HF Energy	-258.226532
Nuclear repulsion energy	167.609540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3703	3542	106.51
2	A'	3302	3158	1.46
3	A'	1543	1475	19.01
4	A'	1487	1422	9.66
5	A'	1340	1282	18.95
6	A'	1291	1234	1.14
7	A'	1160	1109	13.29
8	A'	1098	1051	30.84
9	A'	1077	1030	20.17
10	A'	1029	984	0.52
11	A'	991	948	4.69
12	A"	879	841	15.86
13	A"	752	719	10.10
14	A"	703	673	13.20
15	A"	621	594	86.96

Atom	x (Å)	y (Å)
C1	1.064	0.230
N2	0.000	1.051
N3	-1.110	0.298
N4	-0.723	-0.916
N5	0.631	-1.002
H6	2.092	0.552
H7	-0.061	2.055

	C1	N2	N3	N4	N5	H6	H7
C1		1.3437	2.1746	2.1222	1.3058	1.0774	2.1445
N2	1.3437		1.3411	2.0955	2.1480	2.1504	1.0064
N3	2.1746	1.3411		1.2744	2.1731	3.2117	2.0464
N4	2.1222	2.0955	1.2744		1.3565	3.1741	3.0442
N5	1.3058	2.1480	2.1731	1.3565		2.1327	3.1352
H6	1.0774	2.1504	3.2117	3.1741	2.1327		2.6261
H7	2.1445	1.0064	2.0464	3.0442	3.1352	2.6261

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.182	C1	N2	H7	131.163
C1	N5	N4	105.695	N2	C1	N5	108.328
N2	C1	H6	124.938	N2	N3	N4	106.458
N3	N2	H7	120.656	N3	N4	N5	111.337
N5	C1	H6	126.734

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

using model chemistry: wB97X-D/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	0.221
2	N	-0.291
3	N	-0.031
4	N	-0.085
5	N	-0.244
6	H	0.159
7	H	0.271

	x	y	z	Total
	2.545	4.862	0.000	5.488
CHELPG
AIM
ESP

	x	y	z
x	5.668	0.141	0.000
y	0.141	5.580	0.000
z	0.000	0.000	2.622

<r²>	69.726
(<r²>)^1/2	8.350

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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