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	hartrees
Energy at 0K	-211.956576
Energy at 298.15K	-211.968128
HF Energy	-211.160038
Nuclear repulsion energy	189.426878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3532	3388	0.80
2	A'	3147	3019	61.00
3	A'	3113	2986	8.71
4	A'	3092	2967	43.43
5	A'	2968	2848	135.41
6	A'	1530	1468	0.76
7	A'	1503	1442	3.73
8	A'	1414	1357	3.61
9	A'	1331	1277	0.88
10	A'	1264	1212	2.10
11	A'	1237	1187	8.58
12	A'	1087	1043	0.46
13	A'	1021	979	4.39
14	A'	961	922	3.49
15	A'	929	892	29.82
16	A'	915	878	38.38
17	A'	777	745	19.35
18	A'	587	563	31.39
19	A'	315	302	4.20
20	A"	3128	3001	1.70
21	A"	3107	2981	72.70
22	A"	3080	2955	17.72
23	A"	2964	2844	35.22
24	A"	1513	1451	1.85
25	A"	1479	1419	0.55
26	A"	1450	1391	3.61
27	A"	1338	1284	14.62
28	A"	1314	1261	10.72
29	A"	1252	1201	5.37
30	A"	1212	1163	0.34
31	A"	1153	1106	10.20
32	A"	1115	1069	0.01
33	A"	951	912	0.07
34	A"	877	841	1.91
35	A"	632	606	0.63
36	A"	61	59	0.11

Atom	x (Å)	y (Å)	z (Å)
N1	0.562	-1.090	0.000
H2	0.423	-2.103	0.000
C3	-0.107	-0.474	1.154
C4	-0.107	-0.474	-1.154
C5	-0.107	1.025	0.779
C6	-0.107	1.025	-0.779
H7	-1.157	-0.827	1.281
H8	-1.157	-0.827	-1.281
H9	0.439	-0.687	2.090
H10	0.439	-0.687	-2.090
H11	0.804	1.515	1.166
H12	0.804	1.515	-1.166
H13	-0.978	1.553	1.206
H14	-0.978	1.553	-1.206

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0231	1.4695	1.4695	2.3512	2.3512	2.1599	2.1599	2.1321	2.1321	2.8638	2.8638	3.2876	3.2876
H2	1.0231		2.0662	2.0662	3.2676	3.2676	2.4014	2.4014	2.5249	2.5249	3.8203	3.8203	4.0970	4.0970
C3	1.4695	2.0662		2.3090	1.5453	2.4469	1.1155	2.6760	1.1041	3.2972	2.1870	3.1887	2.2065	3.2307
C4	1.4695	2.0662	2.3090		2.4469	1.5453	2.6760	1.1155	3.2972	1.1041	3.1887	2.1870	3.2307	2.2065
C5	2.3512	3.2676	1.5453	2.4469		1.5590	2.1880	2.9635	2.2244	3.3860	1.1036	2.2031	1.1039	2.2312
C6	2.3512	3.2676	2.4469	1.5453	1.5590		2.9635	2.1880	3.3860	2.2244	2.2031	1.1036	2.2312	1.1039
H7	2.1599	2.4014	1.1155	2.6760	2.1880	2.9635		2.5625	1.7950	3.7329	3.0567	3.9140	2.3884	3.4474
H8	2.1599	2.4014	2.6760	1.1155	2.9635	2.1880	2.5625		3.7329	1.7950	3.9140	3.0567	3.4474	2.3884
H9	2.1321	2.5249	1.1041	3.2972	2.2244	3.3860	1.7950	3.7329		4.1803	2.4154	3.9476	2.7941	4.2295
H10	2.1321	2.5249	3.2972	1.1041	3.3860	2.2244	3.7329	1.7950	4.1803		3.9476	2.4154	4.2295	2.7941
H11	2.8638	3.8203	2.1870	3.1887	1.1036	2.2031	3.0567	3.9140	2.4154	3.9476		2.3321	1.7822	2.9666
H12	2.8638	3.8203	3.1887	2.1870	2.2031	1.1036	3.9140	3.0567	3.9476	2.4154	2.3321		2.9666	1.7822
H13	3.2876	4.0970	2.2065	3.2307	1.1039	2.2312	2.3884	3.4474	2.7941	4.2295	1.7822	2.9666		2.4118
H14	3.2876	4.0970	3.2307	2.2065	2.2312	1.1039	3.4474	2.3884	4.2295	2.7941	2.9666	1.7822	2.4118

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.478	N1	C3	H7	112.627
N1	C3	H9	111.093	N1	C4	C6	102.478
N1	C4	H8	112.627	N1	C4	H10	111.093
H2	N1	C3	110.711	H2	N1	C4	110.711
C3	N1	C4	103.563	C3	C5	C6	104.045
C3	C5	H11	110.186	C3	C5	H13	111.718
C4	C6	C5	104.045	C4	C6	H12	110.186
C4	C6	H14	111.718	C5	C3	H7	109.579
C5	C3	H9	113.147	C5	C6	H12	110.503
C5	C6	H14	112.723	C6	C4	H8	109.579
C6	C4	H10	113.147	C6	C5	H11	110.503
C6	C5	H13	112.723	H7	C3	H9	107.940
H8	C4	H10	107.940	H11	C5	H13	107.675
H12	C6	H14	107.675

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: QCISD/cc-pVDZ

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 C4H9N (Pyrrolidine)

using model chemistry: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)