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	hartrees
Energy at 0K	-257.654046
Energy at 298.15K	-257.659603
HF Energy	-256.830190
Nuclear repulsion energy	167.310176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3726	3533	119.36
2	A'	3343	3169	1.38
3	A'	1562	1480	19.99
4	A'	1516	1437	18.30
5	A'	1340	1270	18.70
6	A'	1314	1245	0.52
7	A'	1178	1116	13.95
8	A'	1117	1059	22.60
9	A'	1082	1026	25.88
10	A'	1027	973	0.80
11	A'	988	937	1.91
12	A"	838	795	29.10
13	A"	726	688	9.84
14	A"	687	651	12.26
15	A"	480	455	73.99

Atom	x (Å)	y (Å)
C1	1.064	0.230
N2	0.000	1.053
N3	-1.111	0.300
N4	-0.725	-0.918
N5	0.634	-1.004
H6	2.089	0.552
H7	-0.061	2.056

	C1	N2	N3	N4	N5	H6	H7
C1		1.3449	2.1754	2.1250	1.3070	1.0747	2.1448
N2	1.3449		1.3420	2.1004	2.1530	2.1483	1.0051
N3	2.1754	1.3420		1.2779	2.1782	3.2095	2.0464
N4	2.1250	2.1004	1.2779		1.3611	3.1743	3.0478
N5	1.3070	2.1530	2.1782	1.3611		2.1304	3.1387
H6	1.0747	2.1483	3.2095	3.1743	2.1304		2.6240
H7	2.1448	1.0051	2.0464	3.0478	3.1387	2.6240

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.113	C1	N2	H7	131.211
C1	N5	N4	105.564	N2	C1	N5	108.549
N2	C1	H6	124.837	N2	N3	N4	106.557
N3	N2	H7	120.676	N3	N4	N5	111.218
N5	C1	H6	126.615

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

using model chemistry: CCD/TZVP

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/TZVP

States and conformations

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