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	hartrees
Energy at 0K	-257.571562
Energy at 298.15K	-257.577187
HF Energy	-256.751320
Nuclear repulsion energy	165.875612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3728	3483	113.12
2	A'	3381	3159	2.13
3	A'	1513	1414	9.21
4	A'	1502	1404	26.43
5	A'	1282	1198	1.93
6	A'	1206	1127	1.93
7	A'	1160	1084	15.92
8	A'	1120	1047	10.63
9	A'	1097	1025	29.31
10	A'	1013	946	3.39
11	A'	972	908	2.54
12	A"	826	772	26.33
13	A"	738	690	19.87
14	A"	702	656	18.84
15	A"	618	577	63.64

Atom	x (Å)	y (Å)
C1	1.071	0.239
N2	0.000	1.055
N3	-1.127	0.317
N4	-0.721	-0.940
N5	0.639	-1.013
H6	2.093	0.568
H7	-0.056	2.061

	C1	N2	N3	N4	N5	H6	H7
C1		1.3466	2.1992	2.1450	1.3247	1.0739	2.1430
N2	1.3466		1.3466	2.1209	2.1645	2.1492	1.0080
N3	2.1992	1.3466		1.3208	2.2105	3.2298	2.0464
N4	2.1450	2.1209	1.3208		1.3618	3.1929	3.0738
N5	1.3247	2.1645	2.2105	1.3618		2.1487	3.1521
H6	1.0739	2.1492	3.2298	3.1929	2.1487		2.6173
H7	2.1430	1.0080	2.0464	3.0738	3.1521	2.6173

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	109.487	C1	N2	H7	130.492
C1	N5	N4	105.960	N2	C1	N5	108.244
N2	C1	H6	124.844	N2	N3	N4	105.333
N3	N2	H7	120.021	N3	N4	N5	110.976
N5	C1	H6	126.912

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

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