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	hartrees
Energy at 0K	-248.731916
Energy at 298.15K
HF Energy	-247.850199
Nuclear repulsion energy	224.008819

Atom	x (Å)	y (Å)	z (Å)
C1	2.071	-0.000	0.027
H2	2.456	-0.882	-0.479
H3	2.456	0.882	-0.478
H4	2.428	-0.000	1.058
C5	-1.490	0.714	0.016
H6	-2.349	1.360	0.023
C7	-1.490	-0.714	0.016
H8	-2.349	-1.360	0.023
C9	-0.174	-1.118	-0.014
H10	0.259	-2.104	-0.025
C11	-0.174	1.118	-0.014
H12	0.259	2.104	-0.025
N13	0.625	0.000	-0.041

	C1	H2	H3	H4	C5	H6	C7	H8	C9	H10	C11	H12	N13
C1		1.0871	1.0871	1.0902	3.6316	4.6251	3.6316	4.6251	2.5086	2.7773	2.5086	2.7773	1.4476
H2	1.0871		1.7641	1.7717	4.2843	5.3260	3.9796	4.8547	2.6808	2.5545	3.3364	3.7345	2.0784
H3	1.0871	1.7641		1.7717	3.9795	4.8545	4.2844	5.3261	3.3365	3.7347	2.6806	2.5541	2.0784
H4	1.0902	1.7717	1.7717		4.1158	5.0736	4.1157	5.0734	3.0276	3.2093	3.0279	3.2098	2.1108
C5	3.6316	4.2843	3.9795	4.1158		1.0757	1.4278	2.2455	2.2559	3.3163	1.3767	2.2339	2.2327
H6	4.6251	5.3260	4.8545	5.0736	1.0757		2.2455	2.7209	3.2982	4.3365	2.1891	2.7124	3.2715
C7	3.6316	3.9796	4.2844	4.1157	1.4278	2.2455		1.0757	1.3767	2.2339	2.2559	3.3163	2.2327
H8	4.6251	4.8547	5.3261	5.0734	2.2455	2.7209	1.0757		2.1891	2.7124	3.2982	4.3365	3.2715
C9	2.5086	2.6808	3.3365	3.0276	2.2559	3.2982	1.3767	2.1891		1.0764	2.2367	3.2511	1.3748
H10	2.7773	2.5545	3.7347	3.2093	3.3163	4.3365	2.2339	2.7124	1.0764		3.2511	4.2076	2.1355
C11	2.5086	3.3364	2.6806	3.0279	1.3767	2.1891	2.2559	3.2982	2.2367	3.2511		1.0764	1.3748
H12	2.7773	3.7345	2.5541	3.2098	2.2339	2.7124	3.3163	4.3365	3.2511	4.2076	1.0764		2.1355
N13	1.4476	2.0784	2.0784	2.1108	2.2327	3.2715	2.2327	3.2715	1.3748	2.1355	1.3748	2.1355

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N13	C9	125.431	C1	N13	C11	125.431
H2	C1	H3	108.461	H2	C1	H4	108.922
H2	C1	N13	109.344	H3	C1	H4	108.922
H3	C1	N13	109.342	H4	C1	N13	111.789
C5	C7	H8	126.943	C5	C7	C9	107.084
C5	C11	H12	130.800	C5	C11	N13	108.479
H6	C5	C7	126.943	H6	C5	C11	125.968
C7	C5	C11	107.084	C7	C9	H10	130.800
C7	C9	N13	108.479	H8	C7	C9	125.968
C9	N13	C11	108.870	H10	C9	N13	120.719
H12	C11	N13	120.719

All results from a given calculation for C₅H₇N (1H-Pyrrole, 1-methyl-)

using model chemistry: MP3/6-31+G**

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 C5H7N (1H-Pyrrole, 1-methyl-)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for C₅H₇N (1H-Pyrrole, 1-methyl-)