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	hartrees
Energy at 0K	-256.760122
Energy at 298.15K	-256.765946
HF Energy	-256.760122
Nuclear repulsion energy	169.834444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3932	3549	144.94
2	A'	3470	3132	0.38
3	A'	1721	1553	24.96
4	A'	1629	1470	11.43
5	A'	1550	1399	37.97
6	A'	1428	1289	1.09
7	A'	1260	1137	19.51
8	A'	1200	1083	34.95
9	A'	1180	1065	24.93
10	A'	1114	1006	1.59
11	A'	1092	986	2.01
12	A"	1013	914	9.54
13	A"	815	736	8.64
14	A"	751	678	6.87
15	A"	632	571	126.90

Atom	x (Å)	y (Å)
C1	1.053	0.226
N2	0.000	1.039
N3	-1.095	0.291
N4	-0.717	-0.902
N5	0.622	-0.990
H6	2.073	0.542
H7	-0.059	2.030

	C1	N2	N3	N4	N5	H6	H7
C1		1.3304	2.1490	2.0978	1.2892	1.0682	2.1194
N2	1.3304		1.3263	2.0690	2.1220	2.1315	0.9928
N3	2.1490	1.3263		1.2518	2.1425	3.1781	2.0244
N4	2.0978	2.0690	1.2518		1.3414	3.1410	3.0049
N5	1.2892	2.1220	2.1425	1.3414		2.1099	3.0956
H6	1.0682	2.1315	3.1781	3.1410	2.1099		2.5994
H7	2.1194	0.9928	2.0244	3.0049	3.0956	2.5994

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	107.974	C1	N2	H7	131.093
C1	N5	N4	105.756	N2	C1	N5	108.191
N2	C1	H6	125.044	N2	N3	N4	106.708
N3	N2	H7	120.934	N3	N4	N5	111.371
N5	C1	H6	126.765

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

using model chemistry: HF/6-31G**

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	0.366
2	N	-0.458
3	N	-0.029
4	N	-0.068
5	N	-0.368
6	H	0.207
7	H	0.350

	x	y	z	Total
	2.680	4.970	0.000	5.646
CHELPG
AIM
ESP

	x	y	z
x	5.100	0.109	0.000
y	0.109	5.158	0.000
z	0.000	0.000	2.267

<r²>	68.488
(<r²>)^1/2	8.276

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

using model chemistry: HF/6-31G**

States and conformations

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