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	hartrees
Energy at 0K	-248.230286
Energy at 298.15K	-248.236413
Nuclear repulsion energy	207.001677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3215	3087	6.63
2	A₁	3190	3062	5.99
3	A₁	3164	3038	7.50
4	A₁	1649	1583	24.19
5	A₁	1517	1457	4.00
6	A₁	1246	1197	3.64
7	A₁	1098	1054	5.85
8	A₁	1052	1010	2.91
9	A₁	1013	973	8.30
10	A₁	604	580	4.16
11	A₂	1007	967	0.00
12	A₂	901	865	0.00
13	A₂	378	363	0.00
14	B₁	1018	978	0.00
15	B₁	961	923	0.02
16	B₁	765	734	8.86
17	B₁	719	691	64.52
18	B₁	414	397	3.40
19	B₂	3207	3079	25.64
20	B₂	3161	3035	31.51
21	B₂	1646	1581	10.47
22	B₂	1477	1418	27.41
23	B₂	1378	1323	0.00
24	B₂	1318	1265	0.02
25	B₂	1167	1121	2.04
26	B₂	1084	1041	0.00
27	B₂	663	637	0.39

Atom	y (Å)	z (Å)
N1	0.000	1.412
C2	0.000	-1.378
C3	1.135	0.719
C4	-1.135	0.719
C5	1.191	-0.669
C6	-1.191	-0.669
H7	0.000	-2.462
H8	2.050	1.303
H9	-2.050	1.303
H10	2.148	-1.177
H11	-2.148	-1.177

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7906	1.3300	1.3300	2.3985	2.3985	3.8739	2.0527	2.0527	3.3639	3.3639
C2	2.7906		2.3840	2.3840	1.3864	1.3864	1.0834	3.3751	3.3751	2.1571	2.1571
C3	1.3300	2.3840		2.2693	1.3889	2.7086	3.3764	1.0859	3.2377	2.1490	3.7902
C4	1.3300	2.3840	2.2693		2.7086	1.3889	3.3764	3.2377	1.0859	3.7902	2.1490
C5	2.3985	1.3864	1.3889	2.7086		2.3829	2.1522	2.1510	3.7942	1.0826	3.3775
C6	2.3985	1.3864	2.7086	1.3889	2.3829		2.1522	3.7942	2.1510	3.3775	1.0826
H7	3.8739	1.0834	3.3764	3.3764	2.1522	2.1522		4.2865	4.2865	2.5027	2.5027
H8	2.0527	3.3751	1.0859	3.2377	2.1510	3.7942	4.2865		4.0996	2.4817	4.8753
H9	2.0527	3.3751	3.2377	1.0859	3.7942	2.1510	4.2865	4.0996		4.8753	2.4817
H10	3.3639	2.1571	2.1490	3.7902	1.0826	3.3775	2.5027	2.4817	4.8753		4.2954
H11	3.3639	2.1571	3.7902	2.1490	3.3775	1.0826	2.5027	4.8753	2.4817	4.2954

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.790	N1	C3	H8	115.986
N1	C4	C6	123.790	N1	C4	H9	115.986
C2	C5	C3	118.410	C2	C5	H10	121.291
C2	C6	C4	118.410	C2	C6	H11	121.291
C3	N1	C4	117.109	C3	C5	H10	120.299
C4	C6	H11	120.299	C5	C2	C6	118.493
C5	C2	H7	120.754	C5	C3	H8	120.224
C6	C2	H7	120.754	C6	C4	H9	120.224

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B1B95/6-311G**

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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Number	Element	Mulliken
1	N	-0.308
2	C	-0.004
3	C	0.065
4	C	0.065
5	C	-0.206
6	C	-0.206
7	H	0.118
8	H	0.124
9	H	0.124
10	H	0.114
11	H	0.114

<r²>	120.569
(<r²>)^1/2	10.980

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B1B95/6-311G**

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)