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	hartrees
Energy at 0K	-225.405598
Energy at 298.15K	-225.411712
HF Energy	-224.792878
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3815	3524	98.50
2	A'	3406	3146	0.37
3	A'	3387	3128	2.80
4	A'	3374	3117	4.69
5	A'	1681	1553	8.10
6	A'	1593	1471	9.63
7	A'	1522	1405	23.06
8	A'	1487	1373	4.20
9	A'	1365	1261	3.26
10	A'	1261	1165	2.80
11	A'	1213	1121	21.69
12	A'	1122	1037	36.22
13	A'	1117	1032	9.33
14	A'	984	909	5.31
15	A'	964	890	10.15
16	A"	932	861	8.23
17	A"	890	822	3.25
18	A"	802	741	93.37
19	A"	725	669	27.09
20	A"	661	610	0.01
21	A"	547	505	73.48

Atom	x (Å)	y (Å)
H1	2.091	0.727
C2	1.103	0.304
H3	1.258	-1.886
C4	0.662	-0.993
H5	-1.475	-1.671
C6	-0.742	-0.883
N7	-1.137	0.376
H8	-0.050	2.080
N9	0.000	1.079

	H1	C2	H3	C4	H5	C6	N7	H8	N9
H1		1.0749	2.7423	2.2359	4.2972	3.2588	3.2474	2.5327	2.1208
C2	1.0749		2.1957	1.3697	3.2475	2.1941	2.2411	2.1167	1.3478
H3	2.7423	2.1957		1.0742	2.7411	2.2377	3.2942	4.1757	3.2208
C4	2.2359	1.3697	1.0742		2.2416	1.4082	2.2600	3.1534	2.1746
H5	4.2972	3.2475	2.7411	2.2416		1.0760	2.0747	4.0125	3.1207
C6	3.2588	2.1941	2.2377	1.4082	1.0760		1.3192	3.0425	2.0977
N7	3.2474	2.2411	3.2942	2.2600	2.0747	1.3192		2.0213	1.3370
H8	2.5327	2.1167	4.1757	3.1534	4.0125	3.0425	2.0213		1.0019
N9	2.1208	1.3478	3.2208	2.1746	3.1207	2.0977	1.3370	1.0019

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	131.928	H1	C2	N9	121.773
C2	C4	H3	127.489	C2	C4	C6	104.330
C2	N9	N7	113.174	C2	N9	H8	127.932
H3	C4	C6	128.181	C4	C2	N9	106.298
C4	C6	H5	128.433	C4	C6	N7	111.875
H5	C6	N7	119.692	C6	N7	N9	104.323
N7	N9	H8	118.893

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

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

States and conformations

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