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	hartrees
Energy at 0K	-254.846894
Energy at 298.15K	-254.852088
HF Energy	-254.846894
Nuclear repulsion energy	159.740639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3767	3326	94.49
2	A'	3533	3119	39.12
3	A'	1527	1348	30.36
4	A'	1487	1313	16.71
5	A'	1267	1119	1.93
6	A'	1251	1104	0.19
7	A'	1143	1010	7.51
8	A'	1053	930	18.05
9	A'	1041	919	17.50
10	A'	968	855	0.26
11	A'	925	817	0.96
12	A"	851	751	10.70
13	A"	664	586	9.70
14	A"	649	573	16.09
15	A"	501	442	82.38

Atom	x (Å)	y (Å)
C1	1.095	0.244
N2	0.000	1.087
N3	-1.159	0.308
N4	-0.744	-0.959
N5	0.667	-1.032
H6	2.132	0.582
H7	-0.055	2.123

	C1	N2	N3	N4	N5	H6	H7
C1		1.3822	2.2551	2.1981	1.3459	1.0900	2.2031
N2	1.3822		1.3963	2.1773	2.2216	2.1904	1.0372
N3	2.2551	1.3963		1.3333	2.2650	3.3017	2.1239
N4	2.1981	2.1773	1.3333		1.4134	3.2628	3.1580
N5	1.3459	2.2216	2.2650	1.4134		2.1794	3.2364
H6	1.0900	2.1904	3.3017	3.2628	2.1794		2.6749
H7	2.2031	1.0372	2.1239	3.1580	3.2364	2.6749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.505	C1	N2	H7	130.637
C1	N5	N4	105.592	N2	C1	N5	109.039
N2	C1	H6	124.335	N2	N3	N4	105.794
N3	N2	H7	120.857	N3	N4	N5	111.070
N5	C1	H6	126.626

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

using model chemistry: B1B95/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	0.071
2	N	-0.203
3	N	-0.044
4	N	-0.066
5	N	-0.155
6	H	0.131
7	H	0.266

	x	y	z	Total
	2.141	4.441	0.000	4.930
CHELPG
AIM
ESP

	x	y	z
x	3.621	0.176	0.000
y	0.176	3.749	0.000
z	0.000	0.000	0.915

<r²>	73.793
(<r²>)^1/2	8.590

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

using model chemistry: B1B95/STO-3G

States and conformations

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