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	hartrees
Energy at 0K	-257.572617
Energy at 298.15K	-257.578224
HF Energy	-256.774136
Nuclear repulsion energy	166.069773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3696	3546	108.46
2	A'	3323	3188	1.06
3	A'	1540	1478	16.10
4	A'	1494	1433	13.12
5	A'	1346	1291	17.13
6	A'	1284	1232	0.35
7	A'	1154	1108	14.47
8	A'	1080	1036	27.60
9	A'	1067	1024	19.51
10	A'	1016	975	0.72
11	A'	974	935	2.22
12	A"	878	842	17.16
13	A"	740	710	8.89
14	A"	690	662	5.85
15	A"	546	524	85.32

Atom	x (Å)	y (Å)
C1	1.070	0.232
N2	0.000	1.060
N3	-1.122	0.305
N4	-0.729	-0.925
N5	0.641	-1.015
H6	2.108	0.563
H7	-0.057	2.072

	C1	N2	N3	N4	N5	H6	H7
C1		1.3531	2.1937	2.1392	1.3191	1.0886	2.1578
N2	1.3531		1.3526	2.1143	2.1715	2.1654	1.0137
N3	2.1937	1.3526		1.2908	2.2020	3.2400	2.0634
N4	2.1392	2.1143	1.2908		1.3726	3.2030	3.0712
N5	1.3191	2.1715	2.2020	1.3726		2.1543	3.1647
H6	1.0886	2.1654	3.2400	3.2030	2.1543		2.6387
H7	2.1578	1.0137	2.0634	3.0712	3.1647	2.6387

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.345	C1	N2	H7	130.938
C1	N5	N4	105.250	N2	C1	N5	108.699
N2	C1	H6	124.601	N2	N3	N4	106.208
N3	N2	H7	120.717	N3	N4	N5	111.498
N5	C1	H6	126.700

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

using model chemistry: QCISD/cc-pVDZ

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: QCISD/cc-pVDZ

States and conformations

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