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	hartrees
Energy at 0K	-248.199636
Energy at 298.15K	-248.205636
HF Energy	-248.199636
Nuclear repulsion energy	205.658079

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3144	3099	10.87
2	A₁	3122	3077	5.00
3	A₁	3098	3054	8.22
4	A₁	1581	1559	20.79
5	A₁	1480	1459	2.22
6	A₁	1220	1202	3.60
7	A₁	1074	1059	3.76
8	A₁	1032	1017	6.15
9	A₁	986	972	5.38
10	A₁	608	599	3.37
11	A₂	949	936	0.00
12	A₂	866	853	0.00
13	A₂	359	354	0.00
14	B₁	962	948	0.01
15	B₁	917	904	0.01
16	B₁	728	717	12.32
17	B₁	691	681	57.33
18	B₁	402	396	3.53
19	B₂	3135	3090	35.54
20	B₂	3096	3051	34.67
21	B₂	1576	1553	7.81
22	B₂	1441	1420	25.66
23	B₂	1360	1341	0.01
24	B₂	1274	1256	0.62
25	B₂	1156	1139	1.91
26	B₂	1056	1040	0.01
27	B₂	659	649	0.30

Atom	y (Å)	z (Å)
N1	0.000	1.424
C2	0.000	-1.387
C3	1.144	0.722
C4	-1.144	0.722
C5	1.199	-0.674
C6	-1.199	-0.674
H7	0.000	-2.474
H8	2.062	1.310
H9	-2.062	1.310
H10	2.159	-1.184
H11	-2.159	-1.184

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8104	1.3419	1.3419	2.4157	2.4157	3.8979	2.0649	2.0649	3.3853	3.3853
C2	2.8104		2.3990	2.3990	1.3949	1.3949	1.0875	3.3943	3.3943	2.1680	2.1680
C3	1.3419	2.3990		2.2877	1.3966	2.7268	3.3947	1.0899	3.2590	2.1594	3.8131
C4	1.3419	2.3990	2.2877		2.7268	1.3966	3.3947	3.2590	1.0899	3.8131	2.1594
C5	2.4157	1.3949	1.3966	2.7268		2.3975	2.1632	2.1629	3.8163	1.0872	3.3959
C6	2.4157	1.3949	2.7268	1.3966	2.3975		2.1632	3.8163	2.1629	3.3959	1.0872
H7	3.8979	1.0875	3.3947	3.3947	2.1632	2.1632		4.3092	4.3092	2.5147	2.5147
H8	2.0649	3.3943	1.0899	3.2590	2.1629	3.8163	4.3092		4.1234	2.4958	4.9021
H9	2.0649	3.3943	3.2590	1.0899	3.8163	2.1629	4.3092	4.1234		4.9021	2.4958
H10	3.3853	2.1680	2.1594	3.8131	1.0872	3.3959	2.5147	2.4958	4.9021		4.3171
H11	3.3853	2.1680	3.8131	2.1594	3.3959	1.0872	2.5147	4.9021	2.4958	4.3171

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.780	N1	C3	H8	115.840
N1	C4	C6	123.780	N1	C4	H9	115.840
C2	C5	C3	118.496	C2	C5	H10	121.236
C2	C6	C4	118.496	C2	C6	H11	121.236
C3	N1	C4	116.946	C3	C5	H10	120.268
C4	C6	H11	120.268	C5	C2	C6	118.501
C5	C2	H7	120.749	C5	C3	H8	120.380
C6	C2	H7	120.749	C6	C4	H9	120.380

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B97D3/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	-0.020
2	C	-0.130
3	C	-0.154
4	C	-0.154
5	C	-0.018
6	C	-0.018
7	H	0.098
8	H	0.090
9	H	0.090
10	H	0.107
11	H	0.107

<r²>	122.165
(<r²>)^1/2	11.053

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)