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	hartrees
Energy at 0K	-225.536720
Energy at 298.15K	-225.542682
HF Energy	-224.799493
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3741	3504	88.77
2	A'	3366	3152	0.30
3	A'	3346	3134	1.51
4	A'	3336	3124	2.65
5	A'	1584	1483	5.33
6	A'	1532	1435	6.60
7	A'	1490	1396	11.58
8	A'	1403	1314	3.32
9	A'	1308	1225	2.28
10	A'	1204	1128	0.76
11	A'	1180	1105	11.94
12	A'	1089	1020	12.97
13	A'	1081	1012	24.24
14	A'	941	881	4.01
15	A'	918	860	7.26
16	A"	845	792	13.17
17	A"	807	756	26.96
18	A"	729	682	60.89
19	A"	698	654	36.68
20	A"	621	581	0.56
21	A"	533	499	42.12

Atom	x (Å)	y (Å)
H1	2.105	0.732
C2	1.116	0.307
H3	1.261	-1.894
C4	0.661	-1.001
H5	-1.475	-1.684
C6	-0.740	-0.897
N7	-1.152	0.387
H8	-0.046	2.091
N9	0.000	1.085

	H1	C2	H3	C4	H5	C6	N7	H8	N9
H1		1.0763	2.7573	2.2549	4.3185	3.2777	3.2753	2.5437	2.1341
C2	1.0763		2.2052	1.3844	3.2673	2.2118	2.2697	2.1285	1.3603
H3	2.7573	2.2052		1.0756	2.7445	2.2361	3.3206	4.1931	3.2346
C4	2.2549	1.3844	1.0756		2.2430	1.4054	2.2838	3.1713	2.1882
H5	4.3185	3.2673	2.7445	2.2430		1.0771	2.0956	4.0361	3.1372
C6	3.2777	2.2118	2.2361	1.4054	1.0771		1.3478	3.0668	2.1151
N7	3.2753	2.2697	3.3206	2.2838	2.0956	1.3478		2.0319	1.3475
H8	2.5437	2.1285	4.1931	3.1713	4.0361	3.0668	2.0319		1.0067
N9	2.1341	1.3603	3.2346	2.1882	3.1372	2.1151	1.3475	1.0067

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	132.408	H1	C2	N9	121.861
C2	C4	H3	126.934	C2	C4	C6	104.900
C2	N9	N7	113.899	C2	N9	H8	127.485
H3	C4	C6	128.166	C4	C2	N9	105.731
C4	C6	H5	128.768	C4	C6	N7	112.077
H5	C6	N7	119.155	C6	N7	N9	103.393
N7	N9	H8	118.616

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

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

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: MP2/6-31G**

States and conformations

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