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	hartrees
Energy at 0K	-225.559198
Energy at 298.15K	-225.565177
HF Energy	-224.799851
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3744	3498	88.98
2	A'	3368	3147	0.29
3	A'	3349	3129	1.46
4	A'	3339	3120	2.62
5	A'	1586	1482	5.31
6	A'	1534	1433	6.59
7	A'	1493	1395	11.54
8	A'	1406	1314	3.31
9	A'	1311	1225	2.34
10	A'	1207	1127	0.82
11	A'	1182	1105	12.01
12	A'	1090	1019	13.37
13	A'	1083	1012	24.08
14	A'	942	881	4.04
15	A'	920	860	7.26
16	A"	852	796	11.57
17	A"	813	760	26.69
18	A"	734	686	62.80
19	A"	701	655	36.21
20	A"	625	584	0.56
21	A"	540	505	42.45

Atom	x (Å)	y (Å)
H1	2.103	0.730
C2	1.114	0.306
H3	1.260	-1.892
C4	0.661	-1.000
H5	-1.473	-1.683
C6	-0.739	-0.896
N7	-1.151	0.386
H8	-0.046	2.089
N9	0.000	1.084

	H1	C2	H3	C4	H5	C6	N7	H8	N9
H1		1.0753	2.7542	2.2524	4.3141	3.2744	3.2719	2.5417	2.1321
C2	1.0753		2.2030	1.3829	3.2640	2.2095	2.2670	2.1267	1.3589
H3	2.7542	2.2030		1.0746	2.7416	2.2339	3.3170	4.1893	3.2316
C4	2.2524	1.3829	1.0746		2.2407	1.4039	2.2811	3.1685	2.1861
H5	4.3141	3.2640	2.7416	2.2407		1.0762	2.0936	4.0328	3.1346
C6	3.2744	2.2095	2.2339	1.4039	1.0762		1.3463	3.0642	2.1133
N7	3.2719	2.2670	3.3170	2.2811	2.0936	1.3463		2.0303	1.3462
H8	2.5417	2.1267	4.1893	3.1685	4.0328	3.0642	2.0303		1.0059
N9	2.1321	1.3589	3.2316	2.1861	3.1346	2.1133	1.3462	1.0059

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	132.378	H1	C2	N9	121.874
C2	C4	H3	126.935	C2	C4	C6	104.902
C2	N9	N7	113.866	C2	N9	H8	127.503
H3	C4	C6	128.163	C4	C2	N9	105.748
C4	C6	H5	128.757	C4	C6	N7	112.063
H5	C6	N7	119.180	C6	N7	N9	103.421
N7	N9	H8	118.631

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

using model chemistry: MP2=FULL/6-31G**

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=FULL/6-31G**

States and conformations

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