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	hartrees
Energy at 0K	-257.812260
Energy at 298.15K	-257.817890
HF Energy	-256.850434
Nuclear repulsion energy	166.580378

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3673	3495	116.25
2	A'	3331	3169	3.12
3	A'	1487	1415	8.51
4	A'	1473	1402	21.61
5	A'	1264	1203	1.48
6	A'	1188	1130	2.17
7	A'	1146	1090	12.22
8	A'	1112	1058	12.22
9	A'	1081	1029	31.15
10	A'	1007	958	3.19
11	A'	964	918	2.62
12	A"	837	797	22.94
13	A"	741	705	15.47
14	A"	700	666	12.21
15	A"	623	593	60.50

Atom	x (Å)	y (Å)
C1	1.065	0.232
N2	0.000	1.055
N3	-1.113	0.306
N4	-0.723	-0.924
N5	0.634	-1.010
H6	2.089	0.557
H7	-0.061	2.060

	C1	N2	N3	N4	N5	H6	H7
C1		1.3459	2.1791	2.1295	1.3153	1.0739	2.1462
N2	1.3459		1.3419	2.1073	2.1609	2.1473	1.0062
N3	2.1791	1.3419		1.2897	2.1872	3.2114	2.0455
N4	2.1295	2.1073	1.2897		1.3602	3.1781	3.0563
N5	1.3153	2.1609	2.1872	1.3602		2.1383	3.1478
H6	1.0739	2.1473	3.2114	3.1781	2.1383		2.6226
H7	2.1462	1.0062	2.0455	3.0563	3.1478	2.6226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	108.335	C1	N2	H7	131.157
C1	N5	N4	105.475	N2	C1	N5	108.576
N2	C1	H6	124.712	N2	N3	N4	106.388
N3	N2	H7	120.508	N3	N4	N5	111.227
N5	C1	H6	126.712

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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