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	hartrees
Energy at 0K	-225.575542
Energy at 298.15K	-225.581444
HF Energy	-224.807784
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3730	3503	101.21
2	A'	3361	3156	0.11
3	A'	3344	3140	1.11
4	A'	3335	3132	0.99
5	A'	1571	1476	5.54
6	A'	1520	1427	7.49
7	A'	1481	1391	10.99
8	A'	1395	1310	4.10
9	A'	1305	1226	2.09
10	A'	1198	1125	1.17
11	A'	1174	1103	14.43
12	A'	1082	1016	13.21
13	A'	1075	1010	30.11
14	A'	938	881	2.19
15	A'	917	861	6.74
16	A"	827	777	27.89
17	A"	786	739	24.17
18	A"	718	674	93.06
19	A"	680	639	30.05
20	A"	600	564	0.87
21	A"	501	471	41.73

Atom	x (Å)	y (Å)
H1	2.104	0.732
C2	1.116	0.308
H3	1.262	-1.894
C4	0.661	-1.001
H5	-1.477	-1.684
C6	-0.741	-0.899
N7	-1.151	0.386
H8	-0.048	2.093
N9	0.000	1.087

	H1	C2	H3	C4	H5	C6	N7	H8	N9
H1		1.0760	2.7575	2.2554	4.3203	3.2795	3.2737	2.5463	2.1340
C2	1.0760		2.2063	1.3857	3.2695	2.2141	2.2679	2.1308	1.3607
H3	2.7575	2.2063		1.0755	2.7473	2.2363	3.3195	4.1963	3.2367
C4	2.2554	1.3857	1.0755		2.2450	1.4060	2.2824	3.1747	2.1906
H5	4.3203	3.2695	2.7473	2.2450		1.0764	2.0953	4.0384	3.1400
C6	3.2795	2.2141	2.2363	1.4060	1.0764		1.3487	3.0712	2.1195
N7	3.2737	2.2679	3.3195	2.2824	2.0953	1.3487		2.0326	1.3477
H8	2.5463	2.1308	4.1963	3.1747	4.0384	3.0712	2.0326		1.0072
N9	2.1340	1.3607	3.2367	2.1906	3.1400	2.1195	1.3477	1.0072

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	132.354	H1	C2	N9	121.843
C2	C4	H3	126.926	C2	C4	C6	104.949
C2	N9	N7	113.723	C2	N9	H8	127.652
H3	C4	C6	128.125	C4	C2	N9	105.803
C4	C6	H5	128.995	C4	C6	N7	111.887
H5	C6	N7	119.118	C6	N7	N9	103.638
N7	N9	H8	118.625

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

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

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/6-31+G**

States and conformations

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