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	hartrees
Energy at 0K	-257.876311
Energy at 298.15K	-257.881993
HF Energy	-256.842418
Nuclear repulsion energy	167.153470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3690	3503	114.41
2	A'	3347	3178	2.95
3	A'	1503	1427	7.30
4	A'	1483	1408	21.22
5	A'	1276	1211	1.63
6	A'	1203	1142	2.43
7	A'	1157	1099	13.18
8	A'	1121	1065	11.71
9	A'	1093	1038	30.44
10	A'	1015	963	3.95
11	A'	973	924	2.69
12	A"	873	829	19.51
13	A"	751	713	18.57
14	A"	710	674	16.10
15	A"	650	617	56.79

Atom	x (Å)	y (Å)
C1	1.063	0.235
N2	0.000	1.048
N3	-1.115	0.316
N4	-0.717	-0.930
N5	0.631	-1.008
H6	2.081	0.561
H7	-0.054	2.051

	C1	N2	N3	N4	N5	H6	H7
C1		1.3387	2.1799	2.1279	1.3161	1.0690	2.1327
N2	1.3387		1.3339	2.1044	2.1510	2.1375	1.0045
N3	2.1799	1.3339		1.3082	2.1915	3.2057	2.0336
N4	2.1279	2.1044	1.3082		1.3506	3.1712	3.0542
N5	1.3161	2.1510	2.1915	1.3506		2.1369	3.1352
H6	1.0690	2.1375	3.2057	3.1712	2.1369		2.6041
H7	2.1327	1.0045	2.0336	3.0542	3.1352	2.6041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	N3	109.303	C1	N2	H7	130.518
C1	N5	N4	105.867	N2	C1	N5	108.234
N2	C1	H6	124.812	N2	N3	N4	105.585
N3	N2	H7	120.180	N3	N4	N5	111.011
N5	C1	H6	126.954

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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