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	hartrees
Energy at 0K	-247.985731
Energy at 298.15K	-247.991685
Nuclear repulsion energy	204.608253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3142	3106	8.73
2	A₁	3119	3084	4.14
3	A₁	3097	3062	5.10
4	A₁	1584	1566	20.34
5	A₁	1466	1449	1.51
6	A₁	1210	1196	3.57
7	A₁	1065	1053	6.24
8	A₁	1020	1008	2.78
9	A₁	980	969	5.76
10	A₁	591	584	3.10
11	A₂	957	946	0.00
12	A₂	861	852	0.00
13	A₂	358	354	0.00
14	B₁	970	959	0.01
15	B₁	919	909	0.05
16	B₁	732	724	8.26
17	B₁	690	682	69.59
18	B₁	398	393	3.46
19	B₂	3133	3098	28.78
20	B₂	3095	3060	29.57
21	B₂	1582	1564	9.19
22	B₂	1429	1413	22.34
23	B₂	1337	1322	0.06
24	B₂	1312	1297	0.37
25	B₂	1139	1126	1.70
26	B₂	1051	1039	0.00
27	B₂	646	639	0.34

Atom	y (Å)	z (Å)
N1	0.000	1.432
C2	0.000	-1.394
C3	1.148	0.726
C4	-1.148	0.726
C5	1.205	-0.677
C6	-1.205	-0.677
H7	0.000	-2.489
H8	2.072	1.317
H9	-2.072	1.317
H10	2.171	-1.190
H11	-2.171	-1.190

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8258	1.3479	1.3479	2.4289	2.4289	3.9204	2.0754	2.0754	3.4044	3.4044
C2	2.8258		2.4107	2.4107	1.4019	1.4019	1.0946	3.4122	3.4122	2.1808	2.1808
C3	1.3479	2.4107		2.2964	1.4041	2.7396	3.4132	1.0970	3.2743	2.1721	3.8328
C4	1.3479	2.4107	2.2964		2.7396	1.4041	3.4132	3.2743	1.0970	3.8328	2.1721
C5	2.4289	1.4019	1.4041	2.7396		2.4098	2.1755	2.1746	3.8362	1.0941	3.4149
C6	2.4289	1.4019	2.7396	1.4041	2.4098		2.1755	3.8362	2.1746	3.4149	1.0941
H7	3.9204	1.0946	3.4132	3.4132	2.1755	2.1755		4.3331	4.3331	2.5298	2.5298
H8	2.0754	3.4122	1.0970	3.2743	2.1746	3.8362	4.3331		4.1445	2.5091	4.9289
H9	2.0754	3.4122	3.2743	1.0970	3.8362	2.1746	4.3331	4.1445		4.9289	2.5091
H10	3.4044	2.1808	2.1721	3.8328	1.0941	3.4149	2.5298	2.5091	4.9289		4.3426
H11	3.4044	2.1808	3.8328	2.1721	3.4149	1.0941	2.5298	4.9289	2.5091	4.3426

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.901	N1	C3	H8	115.803
N1	C4	C6	123.901	N1	C4	H9	115.803
C2	C5	C3	118.433	C2	C5	H10	121.291
C2	C6	C4	118.433	C2	C6	H11	121.291
C3	N1	C4	116.824	C3	C5	H10	120.275
C4	C6	H11	120.275	C5	C2	C6	118.507
C5	C2	H7	120.747	C5	C3	H8	120.295
C6	C2	H7	120.747	C6	C4	H9	120.295

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: PBEPBE/6-31+G**

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	-0.096
2	C	-0.386
3	C	-0.356
4	C	-0.356
5	C	0.228
6	C	0.228
7	H	0.152
8	H	0.145
9	H	0.145
10	H	0.148
11	H	0.148

<r²>	123.413
(<r²>)^1/2	11.109

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: PBEPBE/6-31+G**

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)