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	hartrees
Energy at 0K	-257.560430
Energy at 298.15K	-257.566043
HF Energy	-256.754645
Nuclear repulsion energy	166.326352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3761	3540	107.10
2	A'	3368	3170	0.62
3	A'	1557	1466	21.00
4	A'	1512	1424	14.58
5	A'	1346	1267	18.06
6	A'	1304	1228	0.50
7	A'	1175	1106	14.54
8	A'	1088	1025	28.56
9	A'	1072	1009	17.37
10	A'	1020	960	0.39
11	A'	981	923	2.28
12	A"	877	826	17.24
13	A"	737	694	10.54
14	A"	692	652	10.42
15	A"	564	531	96.71

Atom	x (Å)	y (Å)
C1	1.068	0.236
N2	0.000	1.057
N3	-1.124	0.301
N4	-0.726	-0.927
N5	0.644	-1.009
H6	2.092	0.564
H7	-0.059	2.061

	C1	N2	N3	N4	N5	H6	H7
C1		1.3477	2.1933	2.1388	1.3152	1.0750	2.1454
N2	1.3477		1.3546	2.1137	2.1643	2.1494	1.0055
N3	2.1933	1.3546		1.2916	2.2005	3.2268	2.0569
N4	2.1388	2.1137	1.2916		1.3727	3.1888	3.0623
N5	1.3152	2.1643	2.2005	1.3727		2.1381	3.1495
H6	1.0750	2.1494	3.2268	3.1888	2.1381		2.6208
H7	2.1454	1.0055	2.0569	3.0623	3.1495	2.6208

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.514	C1	N2	H7	130.924
C1	N5	N4	105.432	N2	C1	N5	108.728
N2	C1	H6	124.665	N2	N3	N4	105.999
N3	N2	H7	120.562	N3	N4	N5	111.327
N5	C1	H6	126.607

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

using model chemistry: QCISD/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: QCISD/6-31G**

States and conformations

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