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	hartrees
Energy at 0K	-225.552341
Energy at 298.15K
HF Energy	-224.807457
Nuclear repulsion energy	162.512570

Atom	x (Å)	y (Å)
H1	2.107	0.728
C2	1.115	0.307
H3	1.262	-1.900
C4	0.665	-1.004
H5	-1.480	-1.687
C6	-0.748	-0.895
N7	-1.147	0.383
H8	-0.048	2.097
N9	0.000	1.091

	H1	C2	H3	C4	H5	C6	N7	H8	N9
H1		1.0779	2.7609	2.2542	4.3241	3.2841	3.2722	2.5526	2.1376
C2	1.0779		2.2121	1.3865	3.2721	2.2168	2.2630	2.1344	1.3623
H3	2.7609	2.2121		1.0764	2.7505	2.2475	3.3193	4.2066	3.2461
C4	2.2542	1.3865	1.0764		2.2509	1.4173	2.2824	3.1826	2.1981
H5	4.3241	3.2721	2.7505	2.2509		1.0782	2.0963	4.0460	3.1470
C6	3.2841	2.2168	2.2475	1.4173	1.0782		1.3389	3.0732	2.1218
N7	3.2722	2.2630	3.3193	2.2824	2.0963	1.3389		2.0365	1.3478
H8	2.5526	2.1344	4.2066	3.1826	4.0460	3.0732	2.0365		1.0079
N9	2.1376	1.3623	3.2461	2.1981	3.1470	2.1218	1.3478	1.0079

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	131.926	H1	C2	N9	121.887
C2	C4	H3	127.387	C2	C4	C6	104.488
C2	N9	N7	113.231	C2	N9	H8	127.824
H3	C4	C6	128.125	C4	C2	N9	106.187
C4	C6	H5	128.326	C4	C6	N7	111.774
H5	C6	N7	119.899	C6	N7	N9	104.319
N7	N9	H8	118.945

All results from a given calculation for C₃H₄N₂ (1H-Pyrazole)

using model chemistry: MP2/6-31+G**

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 C3H4N2 (1H-Pyrazole)

using model chemistry: MP2/6-31+G**

States and conformations

All results from a given calculation for C₃H₄N₂ (1H-Pyrazole)