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	hartrees
Energy at 0K	-41.020343
Energy at 298.15K	-41.026464
Nuclear repulsion energy	102.789689

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3246	3108	7.26
2	A₁	3216	3079	20.86
3	A₁	3202	3066	0.46
4	A₁	1634	1564	18.53
5	A₁	1493	1429	8.09
6	A₁	1243	1190	2.57
7	A₁	1087	1041	9.08
8	A₁	1036	992	2.32
9	A₁	991	949	4.18
10	A₁	594	569	2.12
11	A₂	1044	1000	0.00
12	A₂	937	898	0.00
13	A₂	381	365	0.00
14	B₁	1073	1027	0.04
15	B₁	997	954	0.22
16	B₁	778	745	62.52
17	B₁	742	711	55.89
18	B₁	415	397	4.89
19	B₂	3234	3097	51.66
20	B₂	3202	3066	29.23
21	B₂	1633	1564	6.20
22	B₂	1466	1403	33.47
23	B₂	1377	1318	0.02
24	B₂	1335	1278	0.10
25	B₂	1174	1124	1.10
26	B₂	1080	1034	0.36
27	B₂	647	619	1.41

Atom	y (Å)	z (Å)
N1	0.000	1.443
C2	0.000	-1.409
C3	1.162	0.735
C4	-1.162	0.735
C5	1.220	-0.686
C6	-1.220	-0.686
H7	0.000	-2.502
H8	2.081	1.328
H9	-2.081	1.328
H10	2.184	-1.195
H11	-2.184	-1.195

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11
N1		2.8520	1.3605	1.3605	2.4531	2.4531	3.9441	2.0846	2.0846	3.4247	3.4247
C2	2.8520		2.4393	2.4393	1.4186	1.4186	1.0921	3.4389	3.4389	2.1947	2.1947
C3	1.3605	2.4393		2.3242	1.4220	2.7737	3.4391	1.0938	3.2973	2.1843	3.8632
C4	1.3605	2.4393	2.3242		2.7737	1.4220	3.4391	3.2973	1.0938	3.8632	2.1843
C5	2.4531	1.4186	1.4220	2.7737		2.4400	2.1877	2.1902	3.8670	1.0906	3.4421
C6	2.4531	1.4186	2.7737	1.4220	2.4400		2.1877	3.8670	2.1902	3.4421	1.0906
H7	3.9441	1.0921	3.4391	3.4391	2.1877	2.1877		4.3587	4.3587	2.5451	2.5451
H8	2.0846	3.4389	1.0938	3.2973	2.1902	3.8670	4.3587		4.1628	2.5253	4.9560
H9	2.0846	3.4389	3.2973	1.0938	3.8670	2.1902	4.3587	4.1628		4.9560	2.5253
H10	3.4247	2.1947	2.1843	3.8632	1.0906	3.4421	2.5451	2.5253	4.9560		4.3684
H11	3.4247	2.1947	3.8632	2.1843	3.4421	1.0906	2.5451	4.9560	2.5253	4.3684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	123.658	N1	C3	H8	115.858
N1	C4	C6	123.658	N1	C4	H9	115.858
C2	C5	C3	118.350	C2	C5	H10	121.464
C2	C6	C4	118.350	C2	C6	H11	121.464
C3	N1	C4	117.347	C3	C5	H10	120.186
C4	C6	H11	120.186	C5	C2	C6	118.637
C5	C2	H7	120.681	C5	C3	H8	120.483
C6	C2	H7	120.681	C6	C4	H9	120.483

All results from a given calculation for C₅H₅N (Pyridine)

using model chemistry: B1B95/CEP-31G

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	0.333
2	C	-0.506
3	C	-0.618
4	C	-0.618
5	C	0.037
6	C	0.037
7	H	0.280
8	H	0.234
9	H	0.234
10	H	0.294
11	H	0.294

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C5H5N (Pyridine)

using model chemistry: B1B95/CEP-31G

States and conformations

All results from a given calculation for C₅H₅N (Pyridine)