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	hartrees
Energy at 0K	-248.367647
Energy at 298.15K	-248.373775
HF Energy	-248.367647
Nuclear repulsion energy	206.524577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3199	3089	6.09
2	A₁	3176	3066	5.17
3	A₁	3156	3046	5.21
4	A₁	1624	1567	23.31
5	A₁	1518	1465	3.15
6	A₁	1247	1203	4.11
7	A₁	1097	1059	4.55
8	A₁	1050	1014	6.47
9	A₁	1012	977	5.41
10	A₁	619	598	3.67
11	A₂	990	956	0.00
12	A₂	896	865	0.00
13	A₂	381	367	0.00
14	B₁	1002	967	0.01
15	B₁	953	920	0.01
16	B₁	753	726	20.93
17	B₁	715	690	54.89
18	B₁	418	404	3.96
19	B₂	3192	3081	24.09
20	B₂	3153	3044	28.19
21	B₂	1619	1563	9.09
22	B₂	1476	1425	28.31
23	B₂	1393	1345	0.08
24	B₂	1281	1236	0.11
25	B₂	1176	1136	2.36
26	B₂	1080	1042	0.01
27	B₂	673	650	0.33

Atom	y (Å)	z (Å)
N1	0.000	1.410
C2	0.000	-1.383
C3	1.140	0.724
C4	-1.140	0.724
C5	1.194	-0.670
C6	-1.194	-0.670
H7	0.000	-2.461
H8	2.050	1.303
H9	-2.050	1.303
H10	2.143	-1.183
H11	-2.143	-1.183

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7935	1.3305	1.3305	2.3986	2.3986	3.8710	2.0525	2.0525	3.3636	3.3636
C2	2.7935		2.3960	2.3960	1.3903	1.3903	1.0775	3.3793	3.3793	2.1520	2.1520
C3	1.3305	2.3960		2.2799	1.3955	2.7184	3.3827	1.0785	3.2418	2.1544	3.7962
C4	1.3305	2.3960	2.2799		2.7184	1.3955	3.3827	3.2418	1.0785	3.7962	2.1544
C5	2.3986	1.3903	1.3955	2.7184		2.3871	2.1517	2.1514	3.7966	1.0785	3.3753
C6	2.3986	1.3903	2.7184	1.3955	2.3871		2.1517	3.7966	2.1514	3.3753	1.0785
H7	3.8710	1.0775	3.3827	3.3827	2.1517	2.1517		4.2860	4.2860	2.4948	2.4948
H8	2.0525	3.3793	1.0785	3.2418	2.1514	3.7966	4.2860		4.0994	2.4878	4.8740
H9	2.0525	3.3793	3.2418	1.0785	3.7966	2.1514	4.2860	4.0994		4.8740	2.4878
H10	3.3636	2.1520	2.1544	3.7962	1.0785	3.3753	2.4948	2.4878	4.8740		4.2852
H11	3.3636	2.1520	3.7962	2.1544	3.3753	1.0785	2.4948	4.8740	2.4878	4.2852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.246	N1	C3	H8	116.471
N1	C4	C6	123.246	N1	C4	H9	116.471
C2	C5	C3	118.649	C2	C5	H10	120.787
C2	C6	C4	118.649	C2	C6	H11	120.787
C3	N1	C4	117.912	C3	C5	H10	120.564
C4	C6	H11	120.564	C5	C2	C6	118.299
C5	C2	H7	120.850	C5	C3	H8	120.283
C6	C2	H7	120.850	C6	C4	H9	120.283

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B3LYP/TZVP

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	-0.062
2	C	-0.135
3	C	-0.146
4	C	-0.146
5	C	-0.059
6	C	-0.059
7	H	0.123
8	H	0.112
9	H	0.112
10	H	0.129
11	H	0.129

<r²>	121.473
(<r²>)^1/2	11.021

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B3LYP/TZVP

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)