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	hartrees
Energy at 0K	-257.721397
Energy at 298.15K	-257.727031
HF Energy	-256.802868
Nuclear repulsion energy	166.346129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3699	3503	103.82
2	A'	3328	3152	2.03
3	A'	1505	1426	26.49
4	A'	1495	1416	7.33
5	A'	1275	1208	1.75
6	A'	1210	1146	2.51
7	A'	1161	1100	13.33
8	A'	1121	1062	17.35
9	A'	1102	1044	27.98
10	A'	1017	963	3.30
11	A'	975	923	3.45
12	A"	823	780	31.84
13	A"	738	699	20.00
14	A"	705	668	18.22
15	A"	621	588	66.01

Atom	x (Å)	y (Å)
C1	1.067	0.231
N2	0.000	1.058
N3	-1.115	0.307
N4	-0.724	-0.924
N5	0.634	-1.013
H6	2.096	0.555
H7	-0.062	2.064

	C1	N2	N3	N4	N5	H6	H7
C1		1.3497	2.1833	2.1315	1.3175	1.0788	2.1528
N2	1.3497		1.3438	2.1095	2.1657	2.1556	1.0081
N3	2.1833	1.3438		1.2915	2.1917	3.2206	2.0475
N4	2.1315	2.1095	1.2915		1.3616	3.1846	3.0598
N5	1.3175	2.1657	2.1917	1.3616		2.1438	3.1548
H6	1.0788	2.1556	3.2206	3.1846	2.1438		2.6338
H7	2.1528	1.0081	2.0475	3.0598	3.1548	2.6338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.308	C1	N2	H7	131.312
C1	N5	N4	105.413	N2	C1	N5	108.574
N2	C1	H6	124.786	N2	N3	N4	106.337
N3	N2	H7	120.380	N3	N4	N5	111.368
N5	C1	H6	126.640

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

using model chemistry: MP2=FULL/6-311G*

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: MP2=FULL/6-311G*

States and conformations

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