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	hartrees
Energy at 0K	-257.738157
Energy at 298.15K	-257.743824
HF Energy	-256.775031
Nuclear repulsion energy	166.747947

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3707	3484	120.95
2	A'	3356	3155	3.92
3	A'	1495	1405	6.78
4	A'	1482	1393	24.91
5	A'	1276	1199	1.25
6	A'	1212	1139	1.49
7	A'	1161	1091	11.74
8	A'	1136	1068	10.47
9	A'	1107	1041	32.51
10	A'	1017	955	5.38
11	A'	976	918	2.87
12	A"	857	806	17.11
13	A"	752	707	13.81
14	A"	710	668	14.48
15	A"	640	602	63.60

Atom	x (Å)	y (Å)
C1	1.065	0.237
N2	0.000	1.050
N3	-1.118	0.317
N4	-0.717	-0.934
N5	0.633	-1.010
H6	2.087	0.567
H7	-0.061	2.055

	C1	N2	N3	N4	N5	H6	H7
C1		1.3399	2.1848	2.1330	1.3200	1.0742	2.1383
N2	1.3399		1.3368	2.1099	2.1550	2.1426	1.0070
N3	2.1848	1.3368		1.3141	2.1972	3.2153	2.0344
N4	2.1330	2.1099	1.3141		1.3523	3.1813	3.0607
N5	1.3200	2.1550	2.1972	1.3523		2.1454	3.1426
H6	1.0742	2.1426	3.2153	3.1813	2.1454		2.6131
H7	2.1383	1.0070	2.0344	3.0607	3.1426	2.6131

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	109.417	C1	N2	H7	130.791
C1	N5	N4	105.906	N2	C1	N5	108.227
N2	C1	H6	124.771	N2	N3	N4	105.482
N3	N2	H7	119.791	N3	N4	N5	110.968
N5	C1	H6	127.002

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

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

States and conformations

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