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	hartrees
Energy at 0K	-257.737060
Energy at 298.15K	-257.742704
HF Energy	-256.808190
Nuclear repulsion energy	166.323867

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3689	3499	114.95
2	A'	3335	3164	2.56
3	A'	1492	1415	13.98
4	A'	1491	1414	17.75
5	A'	1273	1207	1.58
6	A'	1207	1145	3.28
7	A'	1157	1097	11.77
8	A'	1118	1060	15.41
9	A'	1099	1042	28.72
10	A'	1014	962	3.23
11	A'	971	922	3.14
12	A"	839	796	23.87
13	A"	738	700	21.65
14	A"	703	667	17.19
15	A"	619	587	58.67

Atom	x (Å)	y (Å)
C1	1.070	0.235
N2	0.000	1.053
N3	-1.121	0.317
N4	-0.721	-0.934
N5	0.634	-1.013
H6	2.097	0.562
H7	-0.059	2.061

	C1	N2	N3	N4	N5	H6	H7
C1		1.3470	2.1923	2.1383	1.3221	1.0777	2.1469
N2	1.3470		1.3410	2.1136	2.1614	2.1533	1.0094
N3	2.1923	1.3410		1.3131	2.2018	3.2268	2.0416
N4	2.1383	2.1136	1.3131		1.3569	3.1900	3.0667
N5	1.3221	2.1614	2.2018	1.3569		2.1500	3.1512
H6	1.0777	2.1533	3.2268	3.1900	2.1500		2.6255
H7	2.1469	1.0094	2.0416	3.0667	3.1512	2.6255

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	109.289	C1	N2	H7	130.776
C1	N5	N4	105.903	N2	C1	N5	108.148
N2	C1	H6	124.894	N2	N3	N4	105.564
N3	N2	H7	119.935	N3	N4	N5	111.096
N5	C1	H6	126.958

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)