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	hartrees
Energy at 0K	-208.848767
Energy at 298.15K	-208.855105
HF Energy	-208.848767
Nuclear repulsion energy	162.305483

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3943	3566	70.33
2	A₁	3423	3096	0.37
3	A₁	3398	3073	12.79
4	A₁	1638	1481	14.09
5	A₁	1534	1388	6.69
6	A₁	1256	1136	2.39
7	A₁	1152	1042	28.33
8	A₁	1101	996	27.99
9	A₁	968	875	0.88
10	A₂	985	891	0.00
11	A₂	797	721	0.00
12	A₂	677	612	0.00
13	B₁	959	867	0.22
14	B₁	820	742	169.96
15	B₁	682	617	0.86
16	B₁	482	436	114.59
17	B₂	3417	3091	18.36
18	B₂	3385	3062	5.42
19	B₂	1731	1566	9.24
20	B₂	1589	1437	8.33
21	B₂	1429	1293	0.82
22	B₂	1244	1125	1.10
23	B₂	1156	1046	21.76
24	B₂	947	856	2.80

Atom	y (Å)	z (Å)
N1	0.000	1.113
H2	0.000	2.103
C3	1.112	0.326
C4	-1.112	0.326
C5	0.714	-0.972
C6	-0.714	-0.972
H7	2.093	0.754
H8	-2.093	0.754
H9	1.358	-1.828
H10	-1.358	-1.828

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		0.9893	1.3624	1.3624	2.2041	2.2041	2.1235	2.1235	3.2397	3.2397
H2	0.9893		2.0958	2.0958	3.1564	3.1564	2.4897	2.4897	4.1587	4.1587
C3	1.3624	2.0958		2.2238	1.3579	2.2399	1.0704	3.2333	2.1682	3.2771
C4	1.3624	2.0958	2.2238		2.2399	1.3579	3.2333	1.0704	3.2771	2.1682
C5	2.2041	3.1564	1.3579	2.2399		1.4270	2.2098	3.2949	1.0714	2.2412
C6	2.2041	3.1564	2.2399	1.3579	1.4270		3.2949	2.2098	2.2412	1.0714
H7	2.1235	2.4897	1.0704	3.2333	2.2098	3.2949		4.1858	2.6850	4.3100
H8	2.1235	2.4897	3.2333	1.0704	3.2949	2.2098	4.1858		4.3100	2.6850
H9	3.2397	4.1587	2.1682	3.2771	1.0714	2.2412	2.6850	4.3100		2.7154
H10	3.2397	4.1587	3.2771	2.1682	2.2412	1.0714	4.3100	2.6850	2.7154

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	108.241	N1	C3	H7	121.118
N1	C4	C6	108.241	N1	C4	H8	121.118
H2	N1	C3	125.301	H2	N1	C4	125.301
C3	N1	C4	109.397	C3	C5	C6	107.060
C3	C5	H9	125.979	C4	C6	C5	107.060
C4	C6	H10	125.979	C5	C3	H7	130.641
C5	C6	H10	126.961	C6	C4	H8	130.641
C6	C5	H9	126.961

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: HF/6-311G*

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	-0.593
2	H	0.376
3	C	-0.012
4	C	-0.012
5	C	-0.319
6	C	-0.319
7	H	0.229
8	H	0.229
9	H	0.211
10	H	0.211

<r²>	84.472
(<r²>)^1/2	9.191

All results from a given calculation for C4H5N (Pyrrole)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)