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	hartrees
Energy at 0K	-253.472082
Energy at 298.15K	-253.477567
HF Energy	-253.472082
Nuclear repulsion energy	163.512907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4103	3350	152.88
2	A'	3765	3074	47.30
3	A'	1746	1425	43.49
4	A'	1638	1337	9.20
5	A'	1556	1270	6.03
6	A'	1450	1184	0.68
7	A'	1259	1028	3.59
8	A'	1204	983	26.18
9	A'	1191	973	28.09
10	A'	1092	892	5.46
11	A'	1061	867	1.90
12	A"	1002	818	3.07
13	A"	742	606	4.68
14	A"	711	581	12.35
15	A"	516	422	109.53

Atom	x (Å)	y (Å)
C1	1.084	0.236
N2	0.000	1.075
N3	-1.150	0.300
N4	-0.742	-0.944
N5	0.667	-1.017
H6	2.112	0.580
H7	-0.040	2.099

	C1	N2	N3	N4	N5	H6	H7
C1		1.3710	2.2353	2.1741	1.3203	1.0838	2.1762
N2	1.3710		1.3869	2.1513	2.1955	2.1693	1.0250
N3	2.2353	1.3869		1.3097	2.2440	3.2741	2.1142
N4	2.1741	2.1513	1.3097		1.4104	3.2352	3.1234
N5	1.3203	2.1955	2.2440	1.4104		2.1534	3.1951
H6	1.0838	2.1693	3.2741	3.2352	2.1534		2.6343
H7	2.1762	1.0250	2.1142	3.1234	3.1951	2.6343

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.287	C1	N2	H7	129.975
C1	N5	N4	105.486	N2	C1	N5	109.313
N2	C1	H6	123.759	N2	N3	N4	105.799
N3	N2	H7	121.738	N3	N4	N5	111.114
N5	C1	H6	126.928

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

using model chemistry: HF/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	0.131
2	N	-0.242
3	N	-0.029
4	N	-0.063
5	N	-0.178
6	H	0.121
7	H	0.260

	x	y	z	Total
	2.303	4.464	0.000	5.023
CHELPG
AIM
ESP

	x	y	z
x	3.257	0.165	0.000
y	0.165	3.543	0.000
z	0.000	0.000	0.873

<r²>	71.473
(<r²>)^1/2	8.454

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

using model chemistry: HF/STO-3G

States and conformations

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