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	hartrees
Energy at 0K	-257.532193
Energy at 298.15K	-257.537833
HF Energy	-256.749519
Nuclear repulsion energy	166.753020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3729	3500	118.61
2	A'	3361	3155	1.38
3	A'	1576	1479	18.58
4	A'	1537	1443	19.44
5	A'	1359	1275	18.55
6	A'	1324	1243	0.30
7	A'	1190	1117	12.74
8	A'	1132	1063	27.57
9	A'	1109	1041	21.54
10	A'	1037	974	1.55
11	A'	1004	942	1.79
12	A"	863	810	22.82
13	A"	746	700	10.90
14	A"	701	658	11.90
15	A"	580	544	99.13

Atom	x (Å)	y (Å)
C1	1.068	0.232
N2	0.000	1.056
N3	-1.116	0.302
N4	-0.727	-0.923
N5	0.636	-1.008
H6	2.098	0.556
H7	-0.063	2.063

	C1	N2	N3	N4	N5	H6	H7
C1		1.3488	2.1851	2.1346	1.3131	1.0794	2.1523
N2	1.3488		1.3463	2.1078	2.1588	2.1567	1.0094
N3	2.1851	1.3463		1.2853	2.1867	3.2237	2.0515
N4	2.1346	2.1078	1.2853		1.3649	3.1884	3.0589
N5	1.3131	2.1588	2.1867	1.3649		2.1408	3.1491
H6	1.0794	2.1567	3.2237	3.1884	2.1408		2.6349
H7	2.1523	1.0094	2.0515	3.0589	3.1491	2.6349

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.341	C1	N2	H7	131.213
C1	N5	N4	105.693	N2	C1	N5	108.380
N2	C1	H6	124.928	N2	N3	N4	106.421
N3	N2	H7	120.446	N3	N4	N5	111.166
N5	C1	H6	126.692

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

using model chemistry: MP3/6-31G*

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

using model chemistry: MP3/6-31G*

States and conformations

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