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	hartrees
Energy at 0K	-257.688222
Energy at 298.15K	-257.693903
HF Energy	-256.778555
Nuclear repulsion energy	167.458827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3748	3550	122.78
2	A'	3347	3170	2.02
3	A'	1561	1478	17.43
4	A'	1520	1440	17.68
5	A'	1353	1281	15.67
6	A'	1316	1247	0.12
7	A'	1182	1120	10.13
8	A'	1132	1072	27.59
9	A'	1109	1050	20.41
10	A'	1037	982	2.79
11	A'	1003	950	2.21
12	A"	899	851	13.42
13	A"	756	716	9.80
14	A"	706	669	8.79
15	A"	600	568	83.03

Atom	x (Å)	y (Å)
C1	1.062	0.232
N2	0.000	1.050
N3	-1.112	0.305
N4	-0.722	-0.921
N5	0.634	-1.005
H6	2.087	0.559
H7	-0.061	2.052

	C1	N2	N3	N4	N5	H6	H7
C1		1.3407	2.1753	2.1245	1.3094	1.0754	2.1388
N2	1.3407		1.3384	2.0991	2.1508	2.1437	1.0041
N3	2.1753	1.3384		1.2865	2.1828	3.2087	2.0390
N4	2.1245	2.0991	1.2865		1.3586	3.1750	3.0459
N5	1.3094	2.1508	2.1828	1.3586		2.1349	3.1355
H6	1.0754	2.1437	3.2087	3.1750	2.1349		2.6157
H7	2.1388	1.0041	2.0390	3.0459	3.1355	2.6157

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.581	C1	N2	H7	131.070
C1	N5	N4	105.539	N2	C1	N5	108.501
N2	C1	H6	124.703	N2	N3	N4	106.187
N3	N2	H7	120.348	N3	N4	N5	111.191
N5	C1	H6	126.796

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

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

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