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	hartrees
Energy at 0K	-246.617301
Energy at 298.15K	-246.623785
Nuclear repulsion energy	206.324534

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3438	3096	2.90
2	A₁	3414	3074	26.12
3	A₁	3396	3058	1.70
4	A₁	1769	1593	28.05
5	A₁	1637	1474	10.49
6	A₁	1347	1213	3.97
7	A₁	1177	1060	3.46
8	A₁	1124	1012	13.36
9	A₁	1075	968	3.17
10	A₁	669	603	4.68
11	A₂	1138	1025	0.00
12	A₂	1010	910	0.00
13	A₂	445	401	0.00
14	B₁	1157	1042	0.42
15	B₁	1081	973	0.00
16	B₁	853	768	36.01
17	B₁	803	723	96.14
18	B₁	476	428	5.78
19	B₂	3427	3086	63.95
20	B₂	3407	3067	4.56
21	B₂	1765	1589	13.04
22	B₂	1595	1436	39.76
23	B₂	1509	1359	1.43
24	B₂	1327	1195	0.03
25	B₂	1245	1121	5.89
26	B₂	1161	1045	0.02
27	B₂	725	653	0.78

Atom	y (Å)	z (Å)
N1	0.000	1.405
C2	0.000	-1.380
C3	1.151	0.724
C4	-1.151	0.724
C5	1.201	-0.671
C6	-1.201	-0.671
H7	0.000	-2.452
H8	2.048	1.308
H9	-2.048	1.308
H10	2.145	-1.176
H11	-2.145	-1.176

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7846	1.3377	1.3377	2.3977	2.3977	3.8565	2.0505	2.0505	3.3556	3.3556
C2	2.7846		2.3979	2.3979	1.3947	1.3947	1.0719	3.3795	3.3795	2.1544	2.1544
C3	1.3377	2.3979		2.3025	1.3950	2.7343	3.3776	1.0707	3.2525	2.1437	3.8042
C4	1.3377	2.3979	2.3025		2.7343	1.3950	3.3776	3.2525	1.0707	3.8042	2.1437
C5	2.3977	1.3947	1.3950	2.7343		2.4018	2.1482	2.1526	3.8043	1.0707	3.3836
C6	2.3977	1.3947	2.7343	1.3950	2.4018		2.1482	3.8043	2.1526	3.3836	1.0707
H7	3.8565	1.0719	3.3776	3.3776	2.1482	2.1482		4.2817	4.2817	2.4955	2.4955
H8	2.0505	3.3795	1.0707	3.2525	2.1526	3.8043	4.2817		4.0965	2.4861	4.8737
H9	2.0505	3.3795	3.2525	1.0707	3.8043	2.1526	4.2817	4.0965		4.8737	2.4861
H10	3.3556	2.1544	2.1437	3.8042	1.0707	3.3836	2.4955	2.4861	4.8737		4.2895
H11	3.3556	2.1544	3.8042	2.1437	3.3836	1.0707	2.4955	4.8737	2.4861	4.2895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	122.650	N1	C3	H8	116.292
N1	C4	C6	122.650	N1	C4	H9	116.292
C2	C5	C3	118.528	C2	C5	H10	121.263
C2	C6	C4	118.528	C2	C6	H11	121.263
C3	N1	C4	118.778	C3	C5	H10	120.209
C4	C6	H11	120.209	C5	C2	C6	118.866
C5	C2	H7	120.567	C5	C3	H8	121.058
C6	C2	H7	120.567	C6	C4	H9	121.058

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: HF/SDD

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	-0.197
2	C	-0.115
3	C	-0.194
4	C	-0.194
5	C	-0.210
6	C	-0.210
7	H	0.222
8	H	0.230
9	H	0.230
10	H	0.219
11	H	0.219

<r²>	122.061
(<r²>)^1/2	11.048

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)