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	hartrees
Energy at 0K	-257.583513
Energy at 298.15K	-257.589145
HF Energy	-256.763508
Nuclear repulsion energy	166.890881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3794	3535	127.51
2	A'	3399	3167	2.03
3	A'	1577	1469	20.51
4	A'	1540	1435	18.32
5	A'	1359	1266	18.06
6	A'	1324	1234	0.57
7	A'	1186	1105	11.92
8	A'	1132	1054	24.94
9	A'	1108	1032	24.27
10	A'	1035	964	0.61
11	A'	1002	934	1.51
12	A"	863	804	27.18
13	A"	731	681	12.51
14	A"	694	647	14.44
15	A"	562	523	81.27

Atom	x (Å)	y (Å)
C1	1.067	0.235
N2	0.000	1.053
N3	-1.117	0.305
N4	-0.724	-0.926
N5	0.637	-1.006
H6	2.090	0.558
H7	-0.059	2.055

	C1	N2	N3	N4	N5	H6	H7
C1		1.3452	2.1857	2.1349	1.3135	1.0722	2.1404
N2	1.3452		1.3448	2.1076	2.1556	2.1477	1.0032
N3	2.1857	1.3448		1.2917	2.1895	3.2169	2.0451
N4	2.1349	2.1076	1.2917		1.3634	3.1814	3.0540
N5	1.3135	2.1556	2.1895	1.3634		2.1349	3.1389
H6	1.0722	2.1477	3.2169	3.1814	2.1349		2.6187
H7	2.1404	1.0032	2.0451	3.0540	3.1389	2.6187

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.689	C1	N2	H7	130.856
C1	N5	N4	105.777	N2	C1	N5	108.335
N2	C1	H6	124.973	N2	N3	N4	106.127
N3	N2	H7	120.455	N3	N4	N5	111.072
N5	C1	H6	126.692

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

using model chemistry: MP3=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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