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	hartrees
Energy at 0K	-45.309486
Energy at 298.15K	-45.315272
HF Energy	-45.309486
Nuclear repulsion energy	87.892170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3913	3535	123.13
2	A'	3467	3132	0.18
3	A'	1695	1531	24.32
4	A'	1600	1445	13.23
5	A'	1524	1377	36.24
6	A'	1409	1273	2.39
7	A'	1248	1127	22.92
8	A'	1190	1075	31.78
9	A'	1169	1057	27.09
10	A'	1101	995	1.58
11	A'	1078	974	1.83
12	A"	994	898	15.01
13	A"	800	723	9.87
14	A"	742	670	8.42
15	A"	602	543	117.32

Atom	x (Å)	y (Å)
C1	1.059	0.227
N2	0.000	1.047
N3	-1.102	0.293
N4	-0.721	-0.909
N5	0.627	-0.995
H6	2.082	0.545
H7	-0.062	2.041

	C1	N2	N3	N4	N5	H6	H7
C1		1.3388	2.1618	2.1113	1.2969	1.0711	2.1321
N2	1.3388		1.3351	2.0841	2.1360	2.1415	0.9962
N3	2.1618	1.3351		1.2608	2.1557	3.1938	2.0340
N4	2.1113	2.0841	1.2608		1.3499	3.1571	3.0224
N5	1.2969	2.1360	2.1557	1.3499		2.1190	3.1134
H6	1.0711	2.1415	3.1938	3.1571	2.1190		2.6145
H7	2.1321	0.9962	2.0340	3.0224	3.1134	2.6145

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	107.894	C1	N2	H7	131.307
C1	N5	N4	105.800	N2	C1	N5	108.258
N2	C1	H6	125.030	N2	N3	N4	106.770
N3	N2	H7	120.798	N3	N4	N5	111.277
N5	C1	H6	126.711

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

using model chemistry: HF/CEP-121G*

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	-0.184
2	N	-0.229
3	N	-0.063
4	N	-0.072
5	N	-0.098
6	H	0.228
7	H	0.418

	x	y	z	Total
	2.670	5.056	0.000	5.718
CHELPG
AIM
ESP

	x	y	z
x	5.505	0.089	0.000
y	0.089	5.522	0.000
z	0.000	0.000	2.885

<r²>	56.585
(<r²>)^1/2	7.522

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

using model chemistry: HF/CEP-121G*

States and conformations

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