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	hartrees
Energy at 0K	-209.778382
Energy at 298.15K	-209.773384
HF Energy	-208.807853
Nuclear repulsion energy	162.275825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3926	3699	83.69
2	A₁	3455	3255	0.12
3	A₁	3430	3232	10.20
4	A₁	1648	1553	15.63
5	A₁	1548	1459	7.24
6	A₁	1264	1191	2.67
7	A₁	1161	1094	25.90
8	A₁	1110	1046	25.89
9	A₁	968	912	0.75
10	A₂	1000	942	0.00
11	A₂	806	759	0.00
12	A₂	679	640	0.00
13	B₁	966	910	0.43
14	B₁	830	782	137.56
15	B₁	684	645	0.12
16	B₁	484	456	120.85
17	B₂	3449	3250	14.32
18	B₂	3417	3220	4.85
19	B₂	1744	1644	9.43
20	B₂	1595	1503	10.18
21	B₂	1437	1354	1.16
22	B₂	1253	1180	1.49
23	B₂	1166	1099	18.55
24	B₂	946	891	2.59

Atom	y (Å)	z (Å)
N1	0.000	1.119
H2	0.000	2.130
C3	1.124	0.333
C4	-1.124	0.333
C5	0.708	-0.984
C6	-0.708	-0.984
H7	2.113	0.770
H8	-2.113	0.770
H9	1.357	-1.849
H10	-1.357	-1.849

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0107	1.3716	1.3716	2.2189	2.2189	2.1415	2.1415	3.2638	3.2638
H2	1.0107		2.1191	2.1191	3.1931	3.1931	2.5125	2.5125	4.2041	4.2041
C3	1.3716	2.1191		2.2488	1.3815	2.2570	1.0807	3.2666	2.1952	3.3049
C4	1.3716	2.1191	2.2488		2.2570	1.3815	3.2666	1.0807	3.3049	2.1952
C5	2.2189	3.1931	1.3815	2.2570		1.4166	2.2471	3.3220	1.0817	2.2393
C6	2.2189	3.1931	2.2570	1.3815	1.4166		3.3220	2.2471	2.2393	1.0817
H7	2.1415	2.5125	1.0807	3.2666	2.2471	3.3220		4.2258	2.7265	4.3477
H8	2.1415	2.5125	3.2666	1.0807	3.3220	2.2471	4.2258		4.3477	2.7265
H9	3.2638	4.2041	2.1952	3.3049	1.0817	2.2393	2.7265	4.3477		2.7139
H10	3.2638	4.2041	3.3049	2.1952	2.2393	1.0817	4.3477	2.7265	2.7139

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	108.130	N1	C3	H7	121.134
N1	C4	C6	108.130	N1	C4	H8	121.134
H2	N1	C3	125.246	H2	N1	C4	125.246
C3	N1	C4	109.508	C3	C5	C6	107.116
C3	C5	H9	125.964	C4	C6	C5	107.116
C4	C6	H10	125.964	C5	C3	H7	130.736
C5	C6	H10	126.920	C6	C4	H8	130.736
C6	C5	H9	126.920

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: G2

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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All results from a given calculation for C4H5N (Pyrrole)

using model chemistry: G2

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)