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	hartrees
Energy at 0K	-257.653190
Energy at 298.15K	-257.658747
HF Energy	-256.830512
Nuclear repulsion energy	167.444040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3756	3512	122.25
2	A'	3364	3146	1.70
3	A'	1570	1469	19.77
4	A'	1525	1426	17.10
5	A'	1351	1263	18.82
6	A'	1318	1233	0.51
7	A'	1181	1105	14.00
8	A'	1122	1049	23.25
9	A'	1091	1020	25.18
10	A'	1031	964	1.01
11	A'	995	931	1.68
12	A"	836	782	30.52
13	A"	725	678	9.99
14	A"	687	643	12.36
15	A"	474	444	72.46

Atom	x (Å)	y (Å)
C1	1.063	0.231
N2	0.000	1.051
N3	-1.113	0.302
N4	-0.724	-0.920
N5	0.636	-1.003
H6	2.086	0.554
H7	-0.060	2.052

	C1	N2	N3	N4	N5	H6	H7
C1		1.3423	2.1776	2.1260	1.3064	1.0729	2.1390
N2	1.3423		1.3414	2.0995	2.1499	2.1446	1.0030
N3	2.1776	1.3414		1.2828	2.1823	3.2095	2.0423
N4	2.1260	2.0995	1.2828		1.3621	3.1736	3.0453
N5	1.3064	2.1499	2.1823	1.3621		2.1284	3.1331
H6	1.0729	2.1446	3.2095	3.1736	2.1284		2.6169
H7	2.1390	1.0030	2.0423	3.0453	3.1331	2.6169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.468	C1	N2	H7	131.031
C1	N5	N4	105.613	N2	C1	N5	108.510
N2	C1	H6	124.863	N2	N3	N4	106.251
N3	N2	H7	120.501	N3	N4	N5	111.158
N5	C1	H6	126.627

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

using model chemistry: MP3/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: MP3/TZVP

States and conformations

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