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	hartrees
Energy at 0K	-248.106887
Energy at 298.15K	-248.113069
Nuclear repulsion energy	205.675603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3257	3106	3.48
2	A₁	3233	3083	19.00
3	A₁	3221	3072	1.44
4	A₁	1648	1572	15.60
5	A₁	1529	1459	7.91
6	A₁	1266	1207	2.05
7	A₁	1112	1060	2.88
8	A₁	1064	1015	4.41
9	A₁	1012	965	6.00
10	A₁	619	591	3.76
11	A₂	1027	979	0.00
12	A₂	923	880	0.00
13	A₂	386	368	0.00
14	B₁	1050	1001	0.02
15	B₁	980	935	0.01
16	B₁	777	741	11.71
17	B₁	736	702	66.37
18	B₁	429	409	4.73
19	B₂	3246	3096	40.17
20	B₂	3222	3073	14.63
21	B₂	1646	1570	6.45
22	B₂	1497	1428	29.46
23	B₂	1413	1348	0.18
24	B₂	1328	1267	0.49
25	B₂	1211	1155	1.18
26	B₂	1102	1051	0.17
27	B₂	676	645	0.68

Atom	y (Å)	z (Å)
N1	0.000	1.417
C2	0.000	-1.382
C3	1.153	0.721
C4	-1.153	0.721
C5	1.200	-0.672
C6	-1.200	-0.672
H7	0.000	-2.466
H8	2.062	1.310
H9	-2.062	1.310
H10	2.154	-1.185
H11	-2.154	-1.185

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7991	1.3463	1.3463	2.4095	2.4095	3.8828	2.0649	2.0649	3.3781	3.3781
C2	2.7991		2.3984	2.3984	1.3946	1.3946	1.0837	3.3911	3.3911	2.1632	2.1632
C3	1.3463	2.3984		2.3050	1.3942	2.7345	3.3889	1.0835	3.2681	2.1534	3.8168
C4	1.3463	2.3984	2.3050		2.7345	1.3942	3.3889	3.2681	1.0835	3.8168	2.1534
C5	2.4095	1.3946	1.3942	2.7345		2.4007	2.1582	2.1613	3.8174	1.0830	3.3935
C6	2.4095	1.3946	2.7345	1.3942	2.4007		2.1582	3.8174	2.1613	3.3935	1.0830
H7	3.8828	1.0837	3.3889	3.3889	2.1582	2.1582		4.3021	4.3021	2.5061	2.5061
H8	2.0649	3.3911	1.0835	3.2681	2.1613	3.8174	4.3021		4.1242	2.4968	4.8992
H9	2.0649	3.3911	3.2681	1.0835	3.8174	2.1613	4.3021	4.1242		4.8992	2.4968
H10	3.3781	2.1632	2.1534	3.8168	1.0830	3.3935	2.5061	2.4968	4.8992		4.3084
H11	3.3781	2.1632	3.8168	2.1534	3.3935	1.0830	2.5061	4.8992	2.4968	4.3084

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.089	N1	C3	H8	115.964
N1	C4	C6	123.089	N1	C4	H9	115.964
C2	C5	C3	118.634	C2	C5	H10	121.129
C2	C6	C4	118.634	C2	C6	H11	121.129
C3	N1	C4	117.756	C3	C5	H10	120.237
C4	C6	H11	120.237	C5	C2	C6	118.797
C5	C2	H7	120.601	C5	C3	H8	120.947
C6	C2	H7	120.601	C6	C4	H9	120.947

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B1B95/6-31G

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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Number	Element	Mulliken
1	N	-0.381
2	C	-0.144
3	C	-0.017
4	C	-0.017
5	C	-0.142
6	C	-0.142
7	H	0.169
8	H	0.171
9	H	0.171
10	H	0.165
11	H	0.165

<r²>	121.821
(<r²>)^1/2	11.037

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B1B95/6-31G

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)