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	hartrees
Energy at 0K	-254.540462
Energy at 298.15K	-254.545553
HF Energy	-254.416871
Nuclear repulsion energy	158.102556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3773	3773	83.51
2	A'	3537	3537	31.59
3	A'	1494	1494	33.25
4	A'	1464	1464	13.37
5	A'	1242	1242	1.76
6	A'	1175	1175	1.22
7	A'	1130	1130	6.80
8	A'	1027	1027	13.63
9	A'	1007	1007	15.38
10	A'	955	955	0.12
11	A'	896	896	3.15
12	A"	839	839	10.21
13	A"	650	650	7.88
14	A"	639	639	13.66
15	A"	444	444	83.27

Atom	x (Å)	y (Å)
C1	1.096	0.244
N2	0.000	1.089
N3	-1.158	0.307
N4	-0.746	-0.960
N5	0.667	-1.032
H6	2.131	0.582
H7	-0.056	2.121

	C1	N2	N3	N4	N5	H6	H7
C1		1.3841	2.2548	2.2007	1.3467	1.0887	2.2027
N2	1.3841		1.3972	2.1806	2.2236	2.1911	1.0338
N3	2.2548	1.3972		1.3322	2.2632	3.3006	2.1226
N4	2.2007	2.1806	1.3322		1.4144	3.2640	3.1575
N5	1.3467	2.2236	2.2632	1.4144		2.1791	3.2354
H6	1.0887	2.1911	3.3006	3.2640	2.1791		2.6754
H7	2.2027	1.0338	2.1226	3.1575	3.2354	2.6754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.333	C1	N2	H7	130.742
C1	N5	N4	105.670	N2	C1	N5	109.028
N2	C1	H6	124.337	N2	N3	N4	106.030
N3	N2	H7	120.925	N3	N4	N5	110.940
N5	C1	H6	126.635

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

using model chemistry: B2PLYP/STO-3G

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	0.077
2	N	-0.196
3	N	-0.040
4	N	-0.063
5	N	-0.151
6	H	0.120
7	H	0.253

	x	y	z	Total
	2.076	4.361	0.000	4.830
CHELPG
AIM
ESP

	x	y	z
x	3.670	0.196	0.000
y	0.196	3.832	0.000
z	0.000	0.000	0.927

<r²>	75.014
(<r²>)^1/2	8.661

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

using model chemistry: B2PLYP/STO-3G

States and conformations

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