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	hartrees
Energy at 0K	-257.694346
Energy at 298.15K	-257.699989
HF Energy	-256.773792
Nuclear repulsion energy	166.345626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3695	3490	120.27
2	A'	3346	3161	3.89
3	A'	1493	1410	6.84
4	A'	1476	1394	24.83
5	A'	1270	1199	1.45
6	A'	1201	1134	1.23
7	A'	1154	1090	12.38
8	A'	1127	1065	10.60
9	A'	1098	1037	31.91
10	A'	1010	954	5.16
11	A'	970	916	2.71
12	A"	842	795	18.26
13	A"	743	702	15.42
14	A"	703	664	14.95
15	A"	629	594	60.76

Atom	x (Å)	y (Å)
C1	1.065	0.233
N2	0.000	1.057
N3	-1.114	0.307
N4	-0.724	-0.925
N5	0.635	-1.013
H6	2.091	0.560
H7	-0.063	2.063

	C1	N2	N3	N4	N5	H6	H7
C1		1.3472	2.1813	2.1311	1.3179	1.0761	2.1499
N2	1.3472		1.3433	2.1104	2.1653	2.1490	1.0077
N3	2.1813	1.3433		1.2931	2.1917	3.2151	2.0467
N4	2.1311	2.1104	1.2931		1.3613	3.1820	3.0605
N5	1.3179	2.1653	2.1917	1.3613		2.1430	3.1540
H6	1.0761	2.1490	3.2151	3.1820	2.1430		2.6259
H7	2.1499	1.0077	2.0467	3.0605	3.1540	2.6259

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.333	C1	N2	H7	131.288
C1	N5	N4	105.375	N2	C1	N5	108.666
N2	C1	H6	124.570	N2	N3	N4	106.335
N3	N2	H7	120.379	N3	N4	N5	111.291
N5	C1	H6	126.764

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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