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	hartrees
Energy at 0K	-258.160934
Energy at 298.15K	-258.166467
HF Energy	-258.160934
Nuclear repulsion energy	165.843068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3585	3534	61.61
2	A'	3229	3183	0.24
3	A'	1457	1437	15.00
4	A'	1407	1387	7.99
5	A'	1237	1219	6.91
6	A'	1217	1199	8.20
7	A'	1116	1100	17.72
8	A'	1028	1013	21.13
9	A'	998	983	5.80
10	A'	966	952	9.71
11	A'	915	902	8.24
12	A"	824	812	20.75
13	A"	721	711	8.67
14	A"	677	667	9.73
15	A"	576	568	77.44

Atom	x (Å)	y (Å)
C1	1.073	0.236
N2	0.000	1.060
N3	-1.128	0.302
N4	-0.727	-0.930
N5	0.644	-1.012
H6	2.102	0.567
H7	-0.060	2.069

	C1	N2	N3	N4	N5	H6	H7
C1		1.3526	2.2023	2.1447	1.3199	1.0808	2.1552
N2	1.3526		1.3589	2.1179	2.1691	2.1592	1.0114
N3	2.2023	1.3589		1.2955	2.2059	3.2412	2.0645
N4	2.1447	2.1179	1.2955		1.3731	3.2006	3.0720
N5	1.3199	2.1691	2.2059	1.3731		2.1493	3.1604
H6	1.0808	2.1592	3.2412	3.2006	2.1493		2.6333
H7	2.1552	1.0114	2.0645	3.0720	3.1604	2.6333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.405	C1	N2	H7	131.014
C1	N5	N4	105.751	N2	C1	N5	108.163
N2	C1	H6	124.933	N2	N3	N4	106.262
N3	N2	H7	120.581	N3	N4	N5	111.420
N5	C1	H6	126.904

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

using model chemistry: B97D3/6-311G**

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	0.222
2	N	-0.258
3	N	-0.035
4	N	-0.087
5	N	-0.230
6	H	0.139
7	H	0.249

	x	y	z	Total
	2.425	4.659	0.000	5.253
CHELPG
AIM
ESP

	x	y	z
x	6.000	0.161	0.000
y	0.161	5.924	0.000
z	0.000	0.000	2.658

<r²>	70.823
(<r²>)^1/2	8.416

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

using model chemistry: B97D3/6-311G**

States and conformations

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