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	hartrees
Energy at 0K	-41.545680
Energy at 298.15K	-41.553509
HF Energy	-41.048919
Nuclear repulsion energy	114.242341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3263	3153	2.45
2	A	3249	3139	22.57
3	A	3231	3122	12.27
4	A	3211	3103	1.40
5	A	3173	3066	26.71
6	A	3147	3041	45.84
7	A	3043	2941	77.97
8	A	1542	1490	9.27
9	A	1529	1477	16.93
10	A	1511	1460	18.77
11	A	1499	1449	0.55
12	A	1468	1419	29.31
13	A	1408	1361	1.76
14	A	1401	1353	2.57
15	A	1291	1247	0.04
16	A	1288	1245	50.85
17	A	1161	1122	5.88
18	A	1116	1078	12.57
19	A	1112	1075	14.39
20	A	1071	1035	11.51
21	A	1056	1020	11.56
22	A	957	925	7.05
23	A	874	844	0.01
24	A	777	750	0.08
25	A	755	730	16.59
26	A	701	678	195.21
27	A	651	629	4.13
28	A	641	620	0.01
29	A	597	577	0.00
30	A	596	576	3.76
31	A	351	339	0.85
32	A	199	192	6.29
33	A	82	80	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-2.134	-0.000	0.022
H2	-2.514	0.902	-0.495
H3	-2.514	-0.901	-0.497
H4	-2.496	-0.001	1.071
C5	1.540	-0.732	0.013
H6	2.414	-1.392	0.017
C7	1.540	0.732	0.013
H8	2.414	1.392	0.017
C9	0.173	1.158	-0.012
H10	-0.273	2.157	-0.023
C11	0.173	-1.158	-0.012
H12	-0.273	-2.157	-0.023
N13	-0.644	0.000	-0.031

	C1	H2	H3	H4	C5	H6	C7	H8	C9	H10	C11	H12	N13
C1		1.1068	1.1068	1.1097	3.7470	4.7564	3.7470	4.7565	2.5813	2.8495	2.5813	2.8494	1.4912
H2	1.1068		1.8026	1.8080	4.4010	5.4598	4.0898	4.9790	2.7419	2.6119	3.4197	3.8213	2.1274
H3	1.1068	1.8026		1.8081	4.0902	4.9794	4.4010	5.4597	3.4195	3.8210	2.7424	2.6126	2.1276
H4	1.1097	1.8080	1.8081		4.2360	5.2105	4.2363	5.2109	3.1038	3.2852	3.1032	3.2841	2.1548
C5	3.7470	4.4010	4.0902	4.2360		1.0944	1.4649	2.2966	2.3333	3.4118	1.4326	2.3066	2.3044
H6	4.7564	5.4598	4.9794	5.2105	1.0944		2.2967	2.7830	3.3947	4.4516	2.2538	2.7945	3.3602
C7	3.7470	4.0898	4.4010	4.2363	1.4649	2.2967		1.0944	1.4326	2.3065	2.3333	3.4118	2.3044
H8	4.7565	4.9790	5.4597	5.2109	2.2966	2.7830	1.0944		2.2538	2.7945	3.3947	4.4515	3.3601
C9	2.5813	2.7419	3.4195	3.1038	2.3333	3.3947	1.4326	2.2538		1.0944	2.3155	3.3448	1.4169
H10	2.8495	2.6119	3.8210	3.2852	3.4118	4.4516	2.3065	2.7945	1.0944		3.3448	4.3144	2.1889
C11	2.5813	3.4197	2.7424	3.1032	1.4326	2.2538	2.3333	3.3947	2.3155	3.3448		1.0944	1.4169
H12	2.8494	3.8213	2.6126	3.2841	2.3066	2.7945	3.4118	4.4515	3.3448	4.3144	1.0944		2.1889
N13	1.4912	2.1274	2.1276	2.1548	2.3044	3.3602	2.3044	3.3601	1.4169	2.1889	1.4169	2.1889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N13	C9	125.135	C1	N13	C11	125.131
H2	C1	H3	109.041	H2	C1	H4	109.312
H2	C1	N13	109.047	H3	C1	H4	109.315
H3	C1	N13	109.056	H4	C1	N13	111.040
C5	C7	H8	127.028	C5	C7	C9	107.269
C5	C11	H12	131.312	C5	C11	N13	107.935
H6	C5	C7	127.029	H6	C5	C11	125.697
C7	C5	C11	107.269	C7	C9	H10	131.310
C7	C9	N13	107.936	H8	C7	C9	125.698
C9	N13	C11	109.591	H10	C9	N13	120.754
H12	C11	N13	120.752

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

using model chemistry: MP2/CEP-31G

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/CEP-31G

States and conformations

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