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	hartrees
Energy at 0K	-225.196127
Energy at 298.15K	-225.202007
HF Energy	-224.710848
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3686	3558	92.51
2	A'	3302	3188	1.43
3	A'	3284	3170	4.90
4	A'	3267	3154	1.48
5	A'	1513	1460	13.39
6	A'	1437	1387	15.96
7	A'	1403	1354	8.92
8	A'	1336	1290	3.89
9	A'	1229	1186	2.15
10	A'	1145	1105	2.28
11	A'	1116	1077	14.94
12	A'	1056	1019	12.19
13	A'	999	964	22.03
14	A'	921	889	3.81
15	A'	908	877	7.29
16	A"	797	770	0.03
17	A"	762	736	107.73
18	A"	691	667	130.92
19	A"	672	648	13.82
20	A"	627	605	0.03
21	A"	594	573	34.46

Atom	x (Å)	y (Å)
H1	2.143	0.749
C2	1.145	0.323
H3	1.297	-1.913
C4	0.685	-1.015
H5	-1.488	-1.732
C6	-0.751	-0.935
N7	-1.195	0.382
H8	-0.064	2.133
N9	0.000	1.121

	H1	C2	H3	C4	H5	C6	N7	H8	N9
H1		1.0850	2.7925	2.2886	4.3973	3.3478	3.3576	2.6050	2.1751
C2	1.0850		2.2409	1.4154	3.3399	2.2751	2.3402	2.1764	1.3955
H3	2.7925	2.2409		1.0859	2.7904	2.2691	3.3873	4.2684	3.2992
C4	2.2886	1.4154	1.0859		2.2879	1.4380	2.3423	3.2364	2.2436
H5	4.3973	3.3399	2.7904	2.2879		1.0857	2.1347	4.1194	3.2178
C6	3.3478	2.2751	2.2691	1.4380	1.0857		1.3899	3.1441	2.1887
N7	3.3576	2.3402	3.3873	2.3423	2.1347	1.3899		2.0844	1.4046
H8	2.6050	2.1764	4.2684	3.2364	4.1194	3.1441	2.0844		1.0142
N9	2.1751	1.3955	3.2992	2.2436	3.2178	2.1887	1.4046	1.0142

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	132.049	H1	C2	N9	122.038
C2	C4	H3	126.746	C2	C4	C6	105.747
C2	N9	N7	113.394	C2	N9	H8	128.470
H3	C4	C6	127.507	C4	C2	N9	105.913
C4	C6	H5	129.533	C4	C6	N7	111.836
H5	C6	N7	118.631	C6	N7	N9	103.110
N7	N9	H8	118.136

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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