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	hartrees
Energy at 0K	-246.778235
Energy at 298.15K	-246.784694
Nuclear repulsion energy	208.437343

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3354	3052	5.45
2	A₁	3325	3026	15.83
3	A₁	3311	3014	4.13
4	A₁	1780	1620	41.48
5	A₁	1646	1498	7.69
6	A₁	1335	1215	6.03
7	A₁	1173	1067	2.31
8	A₁	1119	1018	9.48
9	A₁	1086	988	3.82
10	A₁	658	599	5.61
11	A₂	1130	1029	0.00
12	A₂	983	895	0.00
13	A₂	436	396	0.00
14	B₁	1132	1030	0.41
15	B₁	1076	979	0.01
16	B₁	840	765	20.21
17	B₁	777	707	67.90
18	B₁	463	421	3.87
19	B₂	3346	3045	34.14
20	B₂	3311	3013	26.46
21	B₂	1770	1610	20.58
22	B₂	1593	1450	39.22
23	B₂	1499	1365	1.11
24	B₂	1300	1183	0.24
25	B₂	1164	1059	4.75
26	B₂	1143	1041	8.06
27	B₂	717	652	0.14

Atom	y (Å)	z (Å)
N1	0.000	1.396
C2	0.000	-1.369
C3	1.128	0.716
C4	-1.128	0.716
C5	1.187	-0.665
C6	-1.187	-0.665
H7	0.000	-2.442
H8	2.033	1.295
H9	-2.033	1.295
H10	2.135	-1.166
H11	-2.135	-1.166

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.7649	1.3172	1.3172	2.3783	2.3783	3.8384	2.0355	2.0355	3.3350	3.3350
C2	2.7649		2.3702	2.3702	1.3800	1.3800	1.0735	3.3511	3.3511	2.1442	2.1442
C3	1.3172	2.3702		2.2558	1.3819	2.6953	3.3535	1.0746	3.2135	2.1344	3.7665
C4	1.3172	2.3702	2.2558		2.6953	1.3819	3.3535	3.2135	1.0746	3.7665	2.1344
C5	2.3783	1.3800	1.3819	2.6953		2.3739	2.1374	2.1348	3.7695	1.0722	3.3592
C6	2.3783	1.3800	2.6953	1.3819	2.3739		2.1374	3.7695	2.1348	3.3592	1.0722
H7	3.8384	1.0735	3.3535	3.3535	2.1374	2.1374		4.2546	4.2546	2.4869	2.4869
H8	2.0355	3.3511	1.0746	3.2135	2.1348	3.7695	4.2546		4.0660	2.4635	4.8402
H9	2.0355	3.3511	3.2135	1.0746	3.7695	2.1348	4.2546	4.0660		4.8402	2.4635
H10	3.3350	2.1442	2.1344	3.7665	1.0722	3.3592	2.4869	2.4635	4.8402		4.2692
H11	3.3350	2.1442	3.7665	2.1344	3.3592	1.0722	2.4869	4.8402	2.4635	4.2692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.545	N1	C3	H8	116.282
N1	C4	C6	123.545	N1	C4	H9	116.282
C2	C5	C3	118.224	C2	C5	H10	121.441
C2	C6	C4	118.224	C2	C6	H11	121.441
C3	N1	C4	117.808	C3	C5	H10	120.334
C4	C6	H11	120.334	C5	C2	C6	118.654
C5	C2	H7	120.673	C5	C3	H8	120.174
C6	C2	H7	120.673	C6	C4	H9	120.174

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: HF/cc-pVTZ

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	CHELPG	AIM	ESP
1	N	-0.203	-0.669	-1.544	-0.704
2	C	-0.162	0.248	-0.020	0.317
3	C	-0.095	0.471	0.744	0.528
4	C	-0.095	0.471	0.744	0.528
5	C	-0.139	-0.452	0.022	-0.594
6	C	-0.139	-0.452	0.022	-0.594
7	H	0.161	0.058	0.006	0.072
8	H	0.161	0.012	0.005	0.021
9	H	0.161	0.012	0.005	0.021
10	H	0.175	0.149	0.001	0.203
11	H	0.175	0.149	0.001	0.203

	x	y	z	Total
	0.000	0.000	-2.225	2.225
CHELPG
AIM	0.000	0.000	1.194	1.194
ESP	0.000	0.000	-2.236	2.236

<r²>	119.533
(<r²>)^1/2	10.933

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: HF/cc-pVTZ

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)