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	hartrees
Energy at 0K	-248.954339
Energy at 298.15K	-248.962323
HF Energy	-247.932964
Nuclear repulsion energy	224.218529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3304	3143	0.56
2	A	3293	3133	2.04
3	A	3282	3123	1.11
4	A	3274	3115	1.00
5	A	3194	3039	6.54
6	A	3169	3016	11.35
7	A	3084	2935	46.24
8	A	1557	1481	36.02
9	A	1540	1465	1.68
10	A	1535	1460	8.24
11	A	1508	1435	11.73
12	A	1460	1389	11.68
13	A	1445	1375	0.08
14	A	1438	1368	5.20
15	A	1330	1266	31.97
16	A	1293	1230	0.14
17	A	1157	1101	5.55
18	A	1112	1059	6.58
19	A	1111	1057	16.48
20	A	1101	1047	4.20
21	A	1066	1015	12.17
22	A	986	939	4.89
23	A	879	836	0.00
24	A	842	801	0.13
25	A	798	759	0.10
26	A	728	693	126.22
27	A	674	642	5.53
28	A	662	630	0.02
29	A	624	593	5.68
30	A	614	584	0.00
31	A	352	335	0.53
32	A	195	185	3.28
33	A	93	88	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	2.067	-0.000	0.028
H2	2.451	-0.883	-0.476
H3	2.451	0.883	-0.475
H4	2.411	-0.000	1.061
C5	-1.490	0.707	0.017
H6	-2.349	1.356	0.024
C7	-1.490	-0.707	0.017
H8	-2.349	-1.356	0.024
C9	-0.169	-1.116	-0.016
H10	0.271	-2.098	-0.027
C11	-0.169	1.116	-0.016
H12	0.271	2.098	-0.027
N13	0.623	0.000	-0.041

	C1	H2	H3	H4	C5	H6	C7	H8	C9	H10	C11	H12	N13
C1		1.0866	1.0866	1.0888	3.6267	4.6191	3.6267	4.6191	2.4994	2.7624	2.4994	2.7624	1.4458
H2	1.0866		1.7659	1.7726	4.2783	5.3196	3.9757	4.8488	2.6703	2.5359	3.3274	3.7202	2.0761
H3	1.0866	1.7659		1.7726	3.9756	4.8487	4.2783	5.3196	3.3275	3.7204	2.6701	2.5356	2.0761
H4	1.0888	1.7726	1.7726		4.1001	5.0568	4.1000	5.0566	3.0104	3.1883	3.0106	3.1887	2.1010
C5	3.6267	4.2783	3.9756	4.1001		1.0760	1.4144	2.2344	2.2519	3.3128	1.3834	2.2448	2.2289
H6	4.6191	5.3196	4.8487	5.0568	1.0760		2.2344	2.7113	3.2959	4.3354	2.1932	2.7236	3.2669
C7	3.6267	3.9757	4.2783	4.1000	1.4144	2.2344		1.0760	1.3834	2.2448	2.2519	3.3128	2.2289
H8	4.6191	4.8488	5.3196	5.0566	2.2344	2.7113	1.0760		2.1932	2.7236	3.2959	4.3354	3.2669
C9	2.4994	2.6703	3.3275	3.0104	2.2519	3.2959	1.3834	2.1932		1.0762	2.2324	3.2445	1.3688
H10	2.7624	2.5359	3.7204	3.1883	3.3128	4.3354	2.2448	2.7236	1.0762		3.2445	4.1965	2.1276
C11	2.4994	3.3274	2.6701	3.0106	1.3834	2.1932	2.2519	3.2959	2.2324	3.2445		1.0762	1.3688
H12	2.7624	3.7202	2.5356	3.1887	2.2448	2.7236	3.3128	4.3354	3.2445	4.1965	1.0762		2.1276
N13	1.4458	2.0761	2.0761	2.1010	2.2289	3.2669	2.2289	3.2669	1.3688	2.1276	1.3688	2.1276

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N13	C9	125.233	C1	N13	C11	125.233
H2	C1	H3	108.696	H2	C1	H4	109.143
H2	C1	N13	109.313	H3	C1	H4	109.143
H3	C1	N13	109.311	H4	C1	N13	111.195
C5	C7	H8	127.061	C5	C7	C9	107.198
C5	C11	H12	131.343	C5	C11	N13	108.166
H6	C5	C7	127.061	H6	C5	C11	125.734
C7	C5	C11	107.198	C7	C9	H10	131.343
C7	C9	N13	108.166	H8	C7	C9	125.734
C9	N13	C11	109.270	H10	C9	N13	120.490
H12	C11	N13	120.490

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

using model chemistry: MP2/Def2TZVPP

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: MP2/Def2TZVPP

States and conformations

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