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	hartrees
Energy at 0K	-248.204821
Energy at 298.15K	-248.210948
Nuclear repulsion energy	206.558170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3214	3090	6.53
2	A₁	3188	3065	5.23
3	A₁	3161	3039	8.05
4	A₁	1638	1575	24.22
5	A₁	1516	1457	4.21
6	A₁	1247	1199	2.53
7	A₁	1098	1055	3.64
8	A₁	1052	1011	4.02
9	A₁	1011	972	8.54
10	A₁	606	583	4.67
11	A₂	1005	967	0.00
12	A₂	904	870	0.00
13	A₂	381	367	0.00
14	B₁	1018	979	0.00
15	B₁	967	930	0.02
16	B₁	774	744	5.12
17	B₁	724	696	46.96
18	B₁	417	401	3.23
19	B₂	3205	3082	23.44
20	B₂	3158	3036	29.78
21	B₂	1635	1571	9.49
22	B₂	1473	1416	27.17
23	B₂	1377	1324	0.00
24	B₂	1320	1269	0.00
25	B₂	1169	1124	1.74
26	B₂	1082	1041	0.09
27	B₂	663	637	0.29

Atom	y (Å)	z (Å)
N1	0.000	1.416
C2	0.000	-1.381
C3	1.137	0.720
C4	-1.137	0.720
C5	1.194	-0.671
C6	-1.194	-0.671
H7	0.000	-2.467
H8	2.055	1.305
H9	-2.055	1.305
H10	2.153	-1.179
H11	-2.153	-1.179

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7969	1.3334	1.3334	2.4041	2.4041	3.8828	2.0580	2.0580	3.3717	3.3717
C2	2.7969		2.3883	2.3883	1.3894	1.3894	1.0859	3.3816	3.3816	2.1622	2.1622
C3	1.3334	2.3883		2.2739	1.3912	2.7140	3.3830	1.0887	3.2451	2.1531	3.7981
C4	1.3334	2.3883	2.2739		2.7140	1.3912	3.3830	3.2451	1.0887	3.7981	2.1531
C5	2.4041	1.3894	1.3912	2.7140		2.3882	2.1569	2.1547	3.8024	1.0851	3.3852
C6	2.4041	1.3894	2.7140	1.3912	2.3882		2.1569	3.8024	2.1547	3.3852	1.0851
H7	3.8828	1.0859	3.3830	3.3830	2.1569	2.1569		4.2950	4.2950	2.5085	2.5085
H8	2.0580	3.3816	1.0887	3.2451	2.1547	3.8024	4.2950		4.1099	2.4856	4.8860
H9	2.0580	3.3816	3.2451	1.0887	3.8024	2.1547	4.2950	4.1099		4.8860	2.4856
H10	3.3717	2.1622	2.1531	3.7981	1.0851	3.3852	2.5085	2.4856	4.8860		4.3054
H11	3.3717	2.1622	3.7981	2.1531	3.3852	1.0851	2.5085	4.8860	2.4856	4.3054

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.851	N1	C3	H8	115.988
N1	C4	C6	123.851	N1	C4	H9	115.988
C2	C5	C3	118.390	C2	C5	H10	121.315
C2	C6	C4	118.390	C2	C6	H11	121.315
C3	N1	C4	117.009	C3	C5	H10	120.295
C4	C6	H11	120.295	C5	C2	C6	118.508
C5	C2	H7	120.746	C5	C3	H8	120.161
C6	C2	H7	120.746	C6	C4	H9	120.161

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.282
2	C	-0.100
3	C	0.009
4	C	0.009
5	C	-0.153
6	C	-0.153
7	H	0.136
8	H	0.135
9	H	0.135
10	H	0.132
11	H	0.132

<r²>	120.640
(<r²>)^1/2	10.984

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)