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	hartrees
Energy at 0K	-209.667838
Energy at 298.15K
HF Energy	-208.875402
Nuclear repulsion energy	160.565844

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3690	3551
2	A₁	3289	3166
3	A₁	3267	3145
4	A₁	1510	1454
5	A₁	1423	1370
6	A₁	1166	1122
7	A₁	1099	1058
8	A₁	1038	999
9	A₁	893	859
10	A₂	670	645
11	A₂	543	523
12	A₂	370i	356i
13	B₁	695	669
14	B₁	644	620
15	B₁	554	533
16	B₁	110i	106i
17	B₂	3283	3160
18	B₂	3256	3134
19	B₂	1578	1519
20	B₂	1466	1411
21	B₂	1318	1269
22	B₂	1167	1124
23	B₂	1072	1032
24	B₂	873	840

Atom	y (Å)	z (Å)
N1	0.000	1.125
H2	0.000	2.131
C3	1.127	0.332
C4	-1.127	0.332
C5	0.715	-0.985
C6	-0.715	-0.985
H7	2.114	0.766
H8	-2.114	0.766
H9	1.362	-1.849
H10	-1.362	-1.849

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0063	1.3777	1.3777	2.2269	2.2269	2.1441	2.1441	3.2700	3.2700
H2	1.0063		2.1229	2.1229	3.1964	3.1964	2.5163	2.5163	4.2059	4.2059
C3	1.3777	2.1229		2.2534	1.3793	2.2633	1.0785	3.2696	2.1928	3.3083
C4	1.3777	2.1229	2.2534		2.2633	1.3793	3.2696	1.0785	3.3083	2.1928
C5	2.2269	3.1964	1.3793	2.2633		1.4291	2.2411	3.3263	1.0794	2.2487
C6	2.2269	3.1964	2.2633	1.3793	1.4291		3.3263	2.2411	2.2487	1.0794
H7	2.1441	2.5163	1.0785	3.2696	2.2411	3.3263		4.2278	2.7205	4.3491
H8	2.1441	2.5163	3.2696	1.0785	3.3263	2.2411	4.2278		4.3491	2.7205
H9	3.2700	4.2059	2.1928	3.3083	1.0794	2.2487	2.7205	4.3491		2.7233
H10	3.2700	4.2059	3.3083	2.1928	2.2487	1.0794	4.3491	2.7205	2.7233

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.749	N1	C3	H7	121.119
N1	C4	C6	107.749	N1	C4	H8	121.119
H2	N1	C3	125.136	H2	N1	C4	125.136
C3	N1	C4	109.728	C3	C5	C6	107.387
C3	C5	H9	125.777	C4	C6	C5	107.387
C4	C6	H10	125.777	C5	C3	H7	131.132
C5	C6	H10	126.836	C6	C4	H8	131.132
C6	C5	H9	126.836

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: CCSD(T)/TZVP

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: CCSD(T)/TZVP

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)