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	hartrees
Energy at 0K	-257.550132
Energy at 298.15K	-257.555781
HF Energy	-256.749859
Nuclear repulsion energy	166.893171

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3730	3500	118.80
2	A'	3362	3155	1.39
3	A'	1578	1481	18.64
4	A'	1539	1444	19.33
5	A'	1362	1278	18.63
6	A'	1326	1244	0.29
7	A'	1192	1118	12.46
8	A'	1134	1064	27.96
9	A'	1112	1043	21.39
10	A'	1040	975	1.59
11	A'	1006	944	1.83
12	A"	868	815	22.12
13	A"	748	702	11.08
14	A"	703	660	12.26
15	A"	587	551	98.95

Atom	x (Å)	y (Å)
C1	1.067	0.232
N2	0.000	1.055
N3	-1.115	0.302
N4	-0.726	-0.923
N5	0.635	-1.007
H6	2.097	0.556
H7	-0.063	2.062

	C1	N2	N3	N4	N5	H6	H7
C1		1.3475	2.1831	2.1329	1.3118	1.0791	2.1510
N2	1.3475		1.3452	2.1063	2.1568	2.1552	1.0093
N3	2.1831	1.3452		1.2844	2.1848	3.2214	2.0504
N4	2.1329	2.1063	1.2844		1.3638	3.1864	3.0572
N5	1.3118	2.1568	2.1848	1.3638		2.1393	3.1470
H6	1.0791	2.1552	3.2214	3.1864	2.1393		2.6333
H7	2.1510	1.0093	2.0504	3.0572	3.1470	2.6333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.338	C1	N2	H7	131.219
C1	N5	N4	105.702	N2	C1	N5	108.389
N2	C1	H6	124.923	N2	N3	N4	106.424
N3	N2	H7	120.443	N3	N4	N5	111.146
N5	C1	H6	126.688

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

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