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	hartrees
Energy at 0K	-257.629040
Energy at 298.15K	-257.634644
HF Energy	-256.787338
Nuclear repulsion energy	165.132116

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3654	3541	109.89
2	A'	3332	3230	3.34
3	A'	1479	1433	14.31
4	A'	1464	1419	16.72
5	A'	1248	1210	1.15
6	A'	1173	1137	1.21
7	A'	1129	1094	10.15
8	A'	1103	1069	12.04
9	A'	1072	1039	31.92
10	A'	997	966	2.57
11	A'	950	921	2.51
12	A"	809	784	26.21
13	A"	726	703	13.90
14	A"	692	670	13.54
15	A"	613	594	59.45

Atom	x (Å)	y (Å)
C1	1.077	0.239
N2	0.000	1.059
N3	-1.129	0.322
N4	-0.725	-0.943
N5	0.638	-1.021
H6	2.110	0.570
H7	-0.056	2.072

	C1	N2	N3	N4	N5	H6	H7
C1		1.3535	2.2076	2.1552	1.3339	1.0847	2.1546
N2	1.3535		1.3482	2.1293	2.1751	2.1658	1.0144
N3	2.2076	1.3482		1.3282	2.2193	3.2484	2.0524
N4	2.1552	2.1293	1.3282		1.3653	3.2135	3.0882
N5	1.3339	2.1751	2.2193	1.3653		2.1671	3.1692
H6	1.0847	2.1658	3.2484	3.2135	2.1671		2.6357
H7	2.1546	1.0144	2.0524	3.0882	3.1692	2.6357

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	109.592	C1	N2	H7	130.455
C1	N5	N4	105.961	N2	C1	N5	108.070
N2	C1	H6	124.955	N2	N3	N4	105.417
N3	N2	H7	119.953	N3	N4	N5	110.960
N5	C1	H6	126.975

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

using model chemistry: MP2=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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