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	hartrees
Energy at 0K	-225.515853
Energy at 298.15K	-225.521823
HF Energy	-224.791147
Nuclear repulsion energy	163.029933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3736	3507	89.16
2	A'	3340	3135	0.33
3	A'	3322	3118	2.16
4	A'	3310	3107	3.79
5	A'	1629	1529	6.53
6	A'	1552	1457	9.01
7	A'	1488	1397	19.25
8	A'	1437	1349	4.87
9	A'	1326	1245	2.21
10	A'	1227	1152	1.46
11	A'	1184	1111	19.43
12	A'	1096	1028	23.55
13	A'	1090	1023	18.45
14	A'	959	900	5.18
15	A'	939	882	8.24
16	A"	862	809	16.92
17	A"	813	763	6.13
18	A"	752	706	90.50
19	A"	700	657	23.53
20	A"	629	591	0.00
21	A"	510	478	63.34

Atom	x (Å)	y (Å)
H1	2.104	0.731
C2	1.112	0.305
H3	1.264	-1.896
C4	0.665	-0.998
H5	-1.480	-1.683
C6	-0.744	-0.890
N7	-1.147	0.380
H8	-0.050	2.092
N9	0.000	1.085

	H1	C2	H3	C4	H5	C6	N7	H8	N9
H1		1.0801	2.7578	2.2499	4.3214	3.2777	3.2705	2.5482	2.1341
C2	1.0801		2.2067	1.3781	3.2665	2.2078	2.2600	2.1307	1.3579
H3	2.7578	2.2067		1.0796	2.7530	2.2462	3.3157	4.1986	3.2384
C4	2.2499	1.3781	1.0796		2.2516	1.4131	2.2763	3.1715	2.1871
H5	4.3214	3.2665	2.7530	2.2516		1.0813	2.0890	4.0362	3.1389
C6	3.2777	2.2078	2.2462	1.4131	1.0813		1.3326	3.0619	2.1114
N7	3.2705	2.2600	3.3157	2.2763	2.0890	1.3326		2.0334	1.3469
H8	2.5482	2.1307	4.1986	3.1715	4.0362	3.0619	2.0334		1.0075
N9	2.1341	1.3579	3.2384	2.1871	3.1389	2.1114	1.3469	1.0075

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	132.110	H1	C2	N9	121.753
C2	C4	H3	127.338	C2	C4	C6	104.547
C2	N9	N7	113.345	C2	N9	H8	127.897
H3	C4	C6	128.115	C4	C2	N9	106.137
C4	C6	H5	128.529	C4	C6	N7	111.972
H5	C6	N7	119.500	C6	N7	N9	103.999
N7	N9	H8	118.758

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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