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	hartrees
Energy at 0K	-248.192358
Energy at 298.15K	-248.198474
Nuclear repulsion energy	206.313089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3228	3103	5.72
2	A₁	3202	3078	5.08
3	A₁	3174	3051	8.08
4	A₁	1660	1596	23.09
5	A₁	1513	1454	3.39
6	A₁	1241	1192	2.64
7	A₁	1094	1051	5.50
8	A₁	1056	1015	1.86
9	A₁	1010	971	9.17
10	A₁	600	577	4.21
11	A₂	1004	965	0.00
12	A₂	898	863	0.00
13	A₂	379	364	0.00
14	B₁	1018	979	0.00
15	B₁	958	921	0.01
16	B₁	764	734	5.40
17	B₁	717	689	48.84
18	B₁	414	398	2.95
19	B₂	3219	3095	22.26
20	B₂	3171	3048	29.06
21	B₂	1655	1591	10.86
22	B₂	1472	1415	25.33
23	B₂	1364	1311	0.00
24	B₂	1340	1288	0.06
25	B₂	1157	1112	1.74
26	B₂	1084	1042	0.00
27	B₂	659	634	0.40

Atom	y (Å)	z (Å)
N1	0.000	1.419
C2	0.000	-1.383
C3	1.136	0.720
C4	-1.136	0.720
C5	1.194	-0.671
C6	-1.194	-0.671
H7	0.000	-2.474
H8	2.059	1.308
H9	-2.059	1.308
H10	2.158	-1.182
H11	-2.158	-1.182

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8023	1.3338	1.3338	2.4076	2.4076	3.8930	2.0615	2.0615	3.3792	3.3792
C2	2.8023		2.3905	2.3905	1.3905	1.3905	1.0907	3.3880	3.3880	2.1670	2.1670
C3	1.3338	2.3905		2.2721	1.3927	2.7143	3.3901	1.0937	3.2481	2.1587	3.8032
C4	1.3338	2.3905	2.2721		2.7143	1.3927	3.3901	3.2481	1.0937	3.8032	2.1587
C5	2.4076	1.3905	1.3927	2.7143		2.3889	2.1624	2.1595	3.8077	1.0900	3.3907
C6	2.4076	1.3905	2.7143	1.3927	2.3889		2.1624	3.8077	2.1595	3.3907	1.0900
H7	3.8930	1.0907	3.3901	3.3901	2.1624	2.1624		4.3057	4.3057	2.5151	2.5151
H8	2.0615	3.3880	1.0937	3.2481	2.1595	3.8077	4.3057		4.1170	2.4913	4.8962
H9	2.0615	3.3880	3.2481	1.0937	3.8077	2.1595	4.3057	4.1170		4.8962	2.4913
H10	3.3792	2.1670	2.1587	3.8032	1.0900	3.3907	2.5151	2.4913	4.8962		4.3153
H11	3.3792	2.1670	3.8032	2.1587	3.3907	1.0900	2.5151	4.8962	2.4913	4.3153

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	124.007	N1	C3	H8	115.900
N1	C4	C6	124.007	N1	C4	H9	115.900
C2	C5	C3	118.389	C2	C5	H10	121.294
C2	C6	C4	118.389	C2	C6	H11	121.294
C3	N1	C4	116.794	C3	C5	H10	120.316
C4	C6	H11	120.316	C5	C2	C6	118.413
C5	C2	H7	120.794	C5	C3	H8	120.093
C6	C2	H7	120.794	C6	C4	H9	120.093

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B1B95/cc-pVDZ

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	-0.208
2	C	0.065
3	C	0.111
4	C	0.111
5	C	-0.049
6	C	-0.049
7	H	0.001
8	H	0.012
9	H	0.012
10	H	-0.004
11	H	-0.004

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)