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	hartrees
Energy at 0K	-225.191689
Energy at 298.15K	-225.197570
HF Energy	-224.710431
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3687	3551	92.17
2	A'	3303	3181	1.51
3	A'	3285	3163	5.19
4	A'	3268	3148	1.53
5	A'	1513	1458	13.51
6	A'	1438	1385	15.82
7	A'	1403	1351	8.91
8	A'	1337	1287	3.90
9	A'	1230	1184	2.08
10	A'	1145	1103	2.29
11	A'	1116	1075	15.03
12	A'	1056	1017	12.21
13	A'	999	963	22.21
14	A'	921	887	3.80
15	A'	909	875	7.37
16	A"	799	769	0.04
17	A"	763	735	106.54
18	A"	691	666	132.90
19	A"	672	647	13.45
20	A"	627	604	0.01
21	A"	595	573	34.93

Atom	x (Å)	y (Å)
H1	2.143	0.749
C2	1.145	0.323
H3	1.297	-1.913
C4	0.685	-1.016
H5	-1.488	-1.732
C6	-0.751	-0.935
N7	-1.194	0.383
H8	-0.064	2.133
N9	0.000	1.121

	H1	C2	H3	C4	H5	C6	N7	H8	N9
H1		1.0851	2.7932	2.2890	4.3980	3.3484	3.3577	2.6054	2.1753
C2	1.0851		2.2415	1.4158	3.3404	2.2756	2.3402	2.1767	1.3957
H3	2.7932	2.2415		1.0860	2.7909	2.2695	3.3876	4.2691	3.2998
C4	2.2890	1.4158	1.0860		2.2883	1.4385	2.3425	3.2369	2.2441
H5	4.3980	3.3404	2.7909	2.2883		1.0858	2.1349	4.1196	3.2181
C6	3.3484	2.2756	2.2695	1.4385	1.0858		1.3899	3.1443	2.1890
N7	3.3577	2.3402	3.3876	2.3425	2.1349	1.3899		2.0843	1.4045
H8	2.6054	2.1767	4.2691	3.2369	4.1196	3.1443	2.0843		1.0142
N9	2.1753	1.3957	3.2998	2.2441	3.2181	2.1890	1.4045	1.0142

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	132.050	H1	C2	N9	122.036
C2	C4	H3	126.759	C2	C4	C6	105.737
C2	N9	N7	113.389	C2	N9	H8	128.477
H3	C4	C6	127.504	C4	C2	N9	105.914
C4	C6	H5	129.533	C4	C6	N7	111.824
H5	C6	N7	118.644	C6	N7	N9	103.137
N7	N9	H8	118.134

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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