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	hartrees
Energy at 0K	-248.240344
Energy at 298.15K	-248.246498
Nuclear repulsion energy	206.884624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3232	3086	5.71
2	A₁	3207	3062	5.26
3	A₁	3180	3036	7.43
4	A₁	1653	1579	25.07
5	A₁	1527	1458	4.48
6	A₁	1255	1198	2.64
7	A₁	1105	1055	3.85
8	A₁	1058	1010	3.63
9	A₁	1018	972	8.82
10	A₁	609	581	4.71
11	A₂	1015	969	0.00
12	A₂	911	870	0.00
13	A₂	386	368	0.00
14	B₁	1027	980	0.01
15	B₁	975	931	0.01
16	B₁	779	744	5.41
17	B₁	729	696	47.79
18	B₁	420	401	3.24
19	B₂	3224	3078	21.53
20	B₂	3178	3034	28.57
21	B₂	1651	1576	10.16
22	B₂	1483	1416	27.85
23	B₂	1385	1322	0.01
24	B₂	1327	1267	0.03
25	B₂	1174	1121	1.87
26	B₂	1089	1040	0.08
27	B₂	666	636	0.30

Atom	y (Å)	z (Å)
N1	0.000	1.413
C2	0.000	-1.379
C3	1.135	0.719
C4	-1.135	0.719
C5	1.192	-0.670
C6	-1.192	-0.670
H7	0.000	-2.463
H8	2.052	1.303
H9	-2.052	1.303
H10	2.150	-1.178
H11	-2.150	-1.178

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7919	1.3305	1.3305	2.4000	2.4000	3.8764	2.0545	2.0545	3.3665	3.3665
C2	2.7919		2.3848	2.3848	1.3874	1.3874	1.0845	3.3767	3.3767	2.1590	2.1590
C3	1.3305	2.3848		2.2697	1.3896	2.7100	3.3783	1.0872	3.2396	2.1508	3.7927
C4	1.3305	2.3848	2.2697		2.7100	1.3896	3.3783	3.2396	1.0872	3.7927	2.1508
C5	2.4000	1.3874	1.3896	2.7100		2.3849	2.1538	2.1518	3.7968	1.0836	3.3805
C6	2.4000	1.3874	2.7100	1.3896	2.3849		2.1538	3.7968	2.1518	3.3805	1.0836
H7	3.8764	1.0845	3.3783	3.3783	2.1538	2.1538		4.2890	4.2890	2.5048	2.5048
H8	2.0545	3.3767	1.0872	3.2396	2.1518	3.7968	4.2890		4.1032	2.4828	4.8790
H9	2.0545	3.3767	3.2396	1.0872	3.7968	2.1518	4.2890	4.1032		4.8790	2.4828
H10	3.3665	2.1590	2.1508	3.7927	1.0836	3.3805	2.5048	2.4828	4.8790		4.2993
H11	3.3665	2.1590	3.7927	2.1508	3.3805	1.0836	2.5048	4.8790	2.4828	4.2993

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.836	N1	C3	H8	116.019
N1	C4	C6	123.836	N1	C4	H9	116.019
C2	C5	C3	118.363	C2	C5	H10	121.307
C2	C6	C4	118.363	C2	C6	H11	121.307
C3	N1	C4	117.078	C3	C5	H10	120.330
C4	C6	H11	120.330	C5	C2	C6	118.524
C5	C2	H7	120.738	C5	C3	H8	120.145
C6	C2	H7	120.738	C6	C4	H9	120.145

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: mPW1PW91/6-31G(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	-0.288
2	C	-0.101
3	C	0.010
4	C	0.010
5	C	-0.160
6	C	-0.160
7	H	0.140
8	H	0.139
9	H	0.139
10	H	0.136
11	H	0.136

<r²>	120.308
(<r²>)^1/2	10.969

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)