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	hartrees
Energy at 0K	-257.056646
Energy at 298.15K	-257.062343
HF Energy	-256.587747
Nuclear repulsion energy	164.556730

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3821	3574	140.10
2	A'	3419	3197	4.07
3	A'	1571	1470	46.12
4	A'	1491	1394	8.10
5	A'	1307	1223	3.65
6	A'	1294	1210	13.34
7	A'	1189	1112	17.11
8	A'	1083	1013	14.12
9	A'	1052	984	2.01
10	A'	1026	959	22.79
11	A'	911	852	8.26
12	A"	906	847	17.89
13	A"	750	702	156.50
14	A"	743	695	6.86
15	A"	689	644	27.05

Atom	x (Å)	y (Å)
C1	1.083	0.247
N2	0.000	1.067
N3	-1.139	0.297
N4	-0.740	-0.943
N5	0.659	-1.009
H6	2.106	0.568
H7	-0.064	2.066

	C1	N2	N3	N4	N5	H6	H7
C1		1.3577	2.2219	2.1766	1.3255	1.0728	2.1495
N2	1.3577		1.3744	2.1417	2.1775	2.1644	1.0011
N3	2.2219	1.3744		1.3029	2.2218	3.2563	2.0698
N4	2.1766	2.1417	1.3029		1.4000	3.2223	3.0840
N5	1.3255	2.1775	2.2218	1.4000		2.1405	3.1582
H6	1.0728	2.1644	3.2563	3.2223	2.1405		2.6364
H7	2.1495	1.0011	2.0698	3.0840	3.1582	2.6364

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.823	C1	N2	H7	130.764
C1	N5	N4	105.962	N2	C1	N5	108.480
N2	C1	H6	125.467	N2	N3	N4	106.215
N3	N2	H7	120.413	N3	N4	N5	110.519
N5	C1	H6	126.053

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

using model chemistry: CID/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: CID/6-31G

States and conformations

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