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	hartrees
Energy at 0K	-39.918765
Energy at 298.15K	-39.925252
Nuclear repulsion energy	104.233932

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3382	3086	2.00
2	A₁	3359	3065	28.51
3	A₁	3338	3046	1.49
4	A₁	1751	1597	28.89
5	A₁	1620	1478	9.54
6	A₁	1331	1214	3.77
7	A₁	1165	1063	2.76
8	A₁	1112	1015	13.25
9	A₁	1060	967	2.64
10	A₁	661	603	4.52
11	A₂	1123	1025	0.00
12	A₂	1004	916	0.00
13	A₂	440	401	0.00
14	B₁	1142	1042	0.06
15	B₁	1072	979	0.03
16	B₁	839	766	48.53
17	B₁	792	723	63.93
18	B₁	470	429	5.86
19	B₂	3372	3077	67.31
20	B₂	3351	3058	2.85
21	B₂	1743	1591	12.95
22	B₂	1576	1439	38.39
23	B₂	1494	1363	1.45
24	B₂	1306	1191	0.05
25	B₂	1220	1113	7.00
26	B₂	1147	1047	0.05
27	B₂	716	653	0.79

Atom	y (Å)	z (Å)
N1	0.000	1.422
C2	0.000	-1.378
C3	1.155	0.735
C4	-1.155	0.735
C5	1.205	-0.665
C6	-1.205	-0.665
H7	0.000	-2.453
H8	2.054	1.321
H9	-2.054	1.321
H10	2.152	-1.170
H11	-2.152	-1.170

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8003	1.3437	1.3437	2.4102	2.4102	3.8751	2.0565	2.0565	3.3692	3.3692
C2	2.8003		2.4080	2.4080	1.4002	1.4002	1.0747	3.3918	3.3918	2.1620	2.1620
C3	1.3437	2.4080		2.3094	1.4010	2.7439	3.3905	1.0734	3.2618	2.1505	3.8163
C4	1.3437	2.4080	2.3094		2.7439	1.4010	3.3905	3.2618	1.0734	3.8163	2.1505
C5	2.4102	1.4002	1.4010	2.7439		2.4101	2.1560	2.1600	3.8166	1.0733	3.3949
C6	2.4102	1.4002	2.7439	1.4010	2.4101		2.1560	3.8166	2.1600	3.3949	1.0733
H7	3.8751	1.0747	3.3905	3.3905	2.1560	2.1560		4.2967	4.2967	2.5053	2.5053
H8	2.0565	3.3918	1.0734	3.2618	2.1600	3.8166	4.2967		4.1081	2.4932	4.8885
H9	2.0565	3.3918	3.2618	1.0734	3.8166	2.1600	4.2967	4.1081		4.8885	2.4932
H10	3.3692	2.1620	2.1505	3.8163	1.0733	3.3949	2.5053	2.4932	4.8885		4.3040
H11	3.3692	2.1620	3.8163	2.1505	3.3949	1.0733	2.5053	4.8885	2.4932	4.3040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	122.818	N1	C3	H8	116.152
N1	C4	C6	122.818	N1	C4	H9	116.152
C2	C5	C3	118.554	C2	C5	H10	121.311
C2	C6	C4	118.554	C2	C6	H11	121.311
C3	N1	C4	118.483	C3	C5	H10	120.135
C4	C6	H11	120.135	C5	C2	C6	118.774
C5	C2	H7	120.613	C5	C3	H8	121.031
C6	C2	H7	120.613	C6	C4	H9	121.031

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: HF/CEP-121G

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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Number	Element	Mulliken
1	N	0.046
2	C	-0.180
3	C	-0.327
4	C	-0.327
5	C	-0.066
6	C	-0.066
7	H	0.190
8	H	0.168
9	H	0.168
10	H	0.197
11	H	0.197

<r²>	99.896
(<r²>)^1/2	9.995

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)