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	hartrees
Energy at 0K	-225.677324
Energy at 298.15K	-225.683268
HF Energy	-224.835796
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3705	3509	83.53
2	A'	3312	3137	0.50
3	A'	3293	3119	1.88
4	A'	3285	3111	1.86
5	A'	1563	1481	5.95
6	A'	1523	1442	5.01
7	A'	1463	1386	12.43
8	A'	1389	1315	2.58
9	A'	1304	1235	3.12
10	A'	1203	1139	1.14
11	A'	1171	1109	12.21
12	A'	1074	1018	32.69
13	A'	1071	1014	13.51
14	A'	940	891	3.40
15	A'	919	871	7.28
16	A"	841	796	8.64
17	A"	799	757	42.80
18	A"	717	679	79.73
19	A"	694	657	32.92
20	A"	630	597	0.03
21	A"	517	490	49.62

Atom	x (Å)	y (Å)
H1	2.108	0.731
C2	1.115	0.306
H3	1.260	-1.902
C4	0.660	-1.004
H5	-1.488	-1.677
C6	-0.743	-0.894
N7	-1.146	0.390
H8	-0.046	2.089
N9	0.000	1.083

	H1	C2	H3	C4	H5	C6	N7	H8	N9
H1		1.0802	2.7655	2.2602	4.3281	3.2819	3.2719	2.5466	2.1373
C2	1.0802		2.2121	1.3870	3.2725	2.2120	2.2626	2.1282	1.3594
H3	2.7655	2.2121		1.0796	2.7577	2.2430	3.3229	4.1994	3.2402
C4	2.2602	1.3870	1.0796		2.2509	1.4076	2.2814	3.1733	2.1896
H5	4.3281	3.2725	2.7577	2.2509		1.0810	2.0954	4.0336	3.1364
C6	3.2819	2.2120	2.2430	1.4076	1.0810		1.3454	3.0638	2.1125
N7	3.2719	2.2626	3.3229	2.2814	2.0954	1.3454		2.0246	1.3396
H8	2.5466	2.1282	4.1994	3.1733	4.0336	3.0638	2.0246		1.0071
N9	2.1373	1.3594	3.2402	2.1896	3.1364	2.1125	1.3396	1.0071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	132.335	H1	C2	N9	121.928
C2	C4	H3	127.040	C2	C4	C6	104.657
C2	N9	N7	113.920	C2	N9	H8	127.506
H3	C4	C6	128.304	C4	C2	N9	105.737
C4	C6	H5	129.042	C4	C6	N7	111.913
H5	C6	N7	119.045	C6	N7	N9	103.773
N7	N9	H8	118.574

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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