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	hartrees
Energy at 0K	-209.603299
Energy at 298.15K
HF Energy	-208.885354
Nuclear repulsion energy	162.510785

Atom	y (Å)	z (Å)
N1	0.000	1.111
H2	0.000	2.103
C3	1.111	0.328
C4	-1.111	0.328
C5	0.709	-0.972
C6	-0.709	-0.972
H7	2.090	0.755
H8	-2.090	0.755
H9	1.352	-1.826
H10	-1.352	-1.826

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		0.9924	1.3594	1.3594	2.2006	2.2006	2.1203	2.1203	3.2327	3.2327
H2	0.9924		2.0945	2.0945	3.1563	3.1563	2.4875	2.4875	4.1550	4.1550
C3	1.3594	2.0945		2.2226	1.3611	2.2370	1.0679	3.2298	2.1669	3.2720
C4	1.3594	2.0945	2.2226		2.2370	1.3611	3.2298	1.0679	3.2720	2.1669
C5	2.2006	3.1563	1.3611	2.2370		1.4179	2.2115	3.2891	1.0684	2.2307
C6	2.2006	3.1563	2.2370	1.3611	1.4179		3.2891	2.2115	2.2307	1.0684
H7	2.1203	2.4875	1.0679	3.2298	2.2115	3.2891		4.1804	2.6837	4.3020
H8	2.1203	2.4875	3.2298	1.0679	3.2891	2.2115	4.1804		4.3020	2.6837
H9	3.2327	4.1550	2.1669	3.2720	1.0684	2.2307	2.6837	4.3020		2.7042
H10	3.2327	4.1550	3.2720	2.1669	2.2307	1.0684	4.3020	2.6837	2.7042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.973	N1	C3	H7	121.281
N1	C4	C6	107.973	N1	C4	H8	121.281
H2	N1	C3	125.164	H2	N1	C4	125.164
C3	N1	C4	109.671	C3	C5	C6	107.192
C3	C5	H9	125.799	C4	C6	C5	107.192
C4	C6	H10	125.799	C5	C3	H7	130.747
C5	C6	H10	127.009	C6	C4	H8	130.747
C6	C5	H9	127.009

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: CID/cc-pVTZ

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: CID/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)