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	hartrees
Energy at 0K	-38.784007
Energy at 298.15K	-38.789925
HF Energy	-38.106484
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3675	3490	91.79
2	A'	3303	3136	0.66
3	A'	3284	3118	3.26
4	A'	3276	3110	1.87
5	A'	1550	1471	5.37
6	A'	1492	1417	6.14
7	A'	1469	1394	12.04
8	A'	1370	1301	2.37
9	A'	1281	1216	3.80
10	A'	1180	1120	1.04
11	A'	1157	1098	11.32
12	A'	1062	1008	17.29
13	A'	1055	1002	31.04
14	A'	908	862	2.21
15	A'	892	846	6.49
16	A"	855	812	0.14
17	A"	822	780	70.49
18	A"	734	696	111.49
19	A"	688	653	27.93
20	A"	625	593	0.05
21	A"	529	502	45.15

Atom	x (Å)	y (Å)
H1	2.130	0.754
C2	1.132	0.315
H3	1.282	-1.924
C4	0.674	-1.020
H5	-1.508	-1.695
C6	-0.753	-0.907
N7	-1.167	0.393
H8	-0.051	2.114
N9	0.000	1.096

	H1	C2	H3	C4	H5	C6	N7	H8	N9
H1		1.0900	2.8091	2.2952	4.3851	3.3273	3.3163	2.5699	2.1572
C2	1.0900		2.2440	1.4116	3.3179	2.2467	2.3002	2.1528	1.3754
H3	2.8091	2.2440		1.0894	2.7986	2.2751	3.3709	4.2519	3.2807
C4	2.2952	1.4116	1.0894		2.2833	1.4315	2.3203	3.2164	2.2207
H5	4.3851	3.3179	2.7986	2.2833		1.0910	2.1158	4.0779	3.1722
C6	3.3273	2.2467	2.2751	1.4315	1.0910		1.3639	3.1011	2.1397
N7	3.3163	2.3002	3.3709	2.3203	2.1158	1.3639		2.0509	1.3621
H8	2.5699	2.1528	4.2519	3.2164	4.0779	3.1011	2.0509		1.0190
N9	2.1572	1.3754	3.2807	2.2207	3.1722	2.1397	1.3621	1.0190

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	132.703	H1	C2	N9	121.655
C2	C4	H3	127.121	C2	C4	C6	104.415
C2	N9	N7	114.333	C2	N9	H8	127.451
H3	C4	C6	128.464	C4	C2	N9	105.642
C4	C6	H5	129.193	C4	C6	N7	112.182
H5	C6	N7	118.624	C6	N7	N9	103.428
N7	N9	H8	118.216

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

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

States and conformations

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