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	hartrees
Energy at 0K	-257.493935
Energy at 298.15K	-257.499693
HF Energy	-256.809832
Nuclear repulsion energy	168.771399

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3849	3576	114.94
2	A'	3407	3165	0.80
3	A'	1636	1520	22.41
4	A'	1575	1463	12.91
5	A'	1444	1342	24.77
6	A'	1369	1272	0.26
7	A'	1219	1132	10.06
8	A'	1175	1092	34.57
9	A'	1152	1071	22.57
10	A'	1074	998	1.93
11	A'	1046	972	2.70
12	A"	934	868	16.93
13	A"	780	725	11.13
14	A"	731	679	13.88
15	A"	626	582	101.57

Atom	x (Å)	y (Å)
C1	1.057	0.226
N2	0.000	1.046
N3	-1.102	0.298
N4	-0.719	-0.909
N5	0.627	-0.999
H6	2.081	0.545
H7	-0.061	2.042

	C1	N2	N3	N4	N5	H6	H7
C1		1.3376	2.1601	2.1082	1.2988	1.0727	2.1324
N2	1.3376		1.3315	2.0827	2.1387	2.1407	0.9980
N3	2.1601	1.3315		1.2660	2.1610	3.1927	2.0306
N4	2.1082	2.0827	1.2660		1.3490	3.1557	3.0231
N5	1.2988	2.1387	2.1610	1.3490		2.1216	3.1177
H6	1.0727	2.1407	3.1927	3.1557	2.1216		2.6135
H7	2.1324	0.9980	2.0306	3.0231	3.1177	2.6135

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.059	C1	N2	H7	131.298
C1	N5	N4	105.522	N2	C1	N5	108.421
N2	C1	H6	124.922	N2	N3	N4	106.581
N3	N2	H7	120.643	N3	N4	N5	111.417
N5	C1	H6	126.657

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

using model chemistry: CID/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: CID/6-311G*

States and conformations

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