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	hartrees
Energy at 0K	-225.525344
Energy at 298.15K	-225.531289
HF Energy	-224.789664
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3678	3465	90.34
2	A'	3333	3140	0.17
3	A'	3315	3124	1.41
4	A'	3306	3114	2.22
5	A'	1580	1489	5.83
6	A'	1528	1440	6.96
7	A'	1488	1402	12.41
8	A'	1400	1319	3.25
9	A'	1312	1236	2.62
10	A'	1207	1137	0.89
11	A'	1184	1116	12.38
12	A'	1090	1027	13.99
13	A'	1082	1020	26.73
14	A'	944	889	3.97
15	A'	922	869	7.70
16	A"	839	791	16.27
17	A"	798	752	30.52
18	A"	724	682	65.88
19	A"	700	659	34.45
20	A"	625	589	0.36
21	A"	530	500	47.27

Atom	x (Å)	y (Å)
H1	2.108	0.733
C2	1.115	0.307
H3	1.264	-1.896
C4	0.661	-1.000
H5	-1.478	-1.686
C6	-0.739	-0.896
N7	-1.152	0.386
H8	-0.051	2.095
N9	0.000	1.084

	H1	C2	H3	C4	H5	C6	N7	H8	N9
H1		1.0807	2.7618	2.2578	4.3259	3.2805	3.2781	2.5524	2.1369
C2	1.0807		2.2085	1.3837	3.2706	2.2104	2.2677	2.1341	1.3588
H3	2.7618	2.2085		1.0802	2.7497	2.2387	3.3228	4.2020	3.2373
C4	2.2578	1.3837	1.0802		2.2463	1.4040	2.2815	3.1755	2.1864
H5	4.3259	3.2706	2.7497	2.2463		1.0816	2.0976	4.0414	3.1402
C6	3.2805	2.2104	2.2387	1.4040	1.0816		1.3467	3.0692	2.1140
N7	3.2781	2.2677	3.3228	2.2815	2.0976	1.3467		2.0328	1.3470
H8	2.5524	2.1341	4.2020	3.1755	4.0414	3.0692	2.0328		1.0119
N9	2.1369	1.3588	3.2373	2.1864	3.1402	2.1140	1.3470	1.0119

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	132.368	H1	C2	N9	121.901
C2	C4	H3	126.935	C2	C4	C6	104.915
C2	N9	N7	113.885	C2	N9	H8	127.772
H3	C4	C6	128.150	C4	C2	N9	105.731
C4	C6	H5	128.844	C4	C6	N7	112.065
H5	C6	N7	119.092	C6	N7	N9	103.404
N7	N9	H8	118.343

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)