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	hartrees
Energy at 0K	-212.502706
Energy at 298.15K	-212.514125
HF Energy	-212.502706
Nuclear repulsion energy	189.575602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3458	3408	1.54
2	A'	3063	3019	79.84
3	A'	3023	2979	20.44
4	A'	3009	2966	49.08
5	A'	2853	2812	191.17
6	A'	1503	1481	0.61
7	A'	1477	1456	4.64
8	A'	1364	1345	1.30
9	A'	1289	1270	1.14
10	A'	1218	1200	1.78
11	A'	1199	1182	5.43
12	A'	1045	1030	0.97
13	A'	989	975	3.86
14	A'	921	908	2.87
15	A'	881	869	2.96
16	A'	856	844	55.13
17	A'	749	738	31.17
18	A'	570	561	48.20
19	A'	301	296	4.71
20	A"	3042	2998	0.37
21	A"	3014	2971	116.26
22	A"	3003	2960	4.75
23	A"	2847	2806	57.68
24	A"	1483	1462	0.85
25	A"	1458	1438	0.79
26	A"	1406	1386	4.58
27	A"	1298	1280	4.65
28	A"	1275	1257	15.70
29	A"	1221	1204	6.48
30	A"	1174	1157	0.03
31	A"	1103	1087	10.67
32	A"	1076	1061	6.46
33	A"	910	897	0.22
34	A"	855	843	3.64
35	A"	625	616	0.78
36	A"	66	65	0.12

Atom	x (Å)	y (Å)	z (Å)
N1	0.542	-1.100	0.000
H2	0.412	-2.109	0.000
C3	-0.103	-0.470	1.161
C4	-0.103	-0.470	-1.161
C5	-0.103	1.026	0.779
C6	-0.103	1.026	-0.779
H7	-1.148	-0.815	1.311
H8	-1.148	-0.815	-1.311
H9	0.457	-0.680	2.080
H10	0.457	-0.680	-2.080
H11	0.798	1.516	1.161
H12	0.798	1.516	-1.161
H13	-0.970	1.548	1.200
H14	-0.970	1.548	-1.200

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0177	1.4696	1.4696	2.3543	2.3543	2.1579	2.1579	2.1241	2.1241	2.8739	2.8739	3.2763	3.2763
H2	1.0177		2.0732	2.0732	3.2714	3.2714	2.4142	2.4142	2.5246	2.5246	3.8267	3.8267	4.0892	4.0892
C3	1.4696	2.0732		2.3216	1.5443	2.4501	1.1102	2.7058	1.0969	3.2959	2.1819	3.1864	2.1966	3.2245
C4	1.4696	2.0732	2.3216		2.4501	1.5443	2.7058	1.1102	3.2959	1.0969	3.1864	2.1819	3.2245	2.1966
C5	2.3543	3.2714	1.5443	2.4501		1.5586	2.1823	2.9749	2.2171	3.3764	1.0953	2.1954	1.0955	2.2228
C6	2.3543	3.2714	2.4501	1.5443	1.5586		2.9749	2.1823	3.3764	2.2171	2.1954	1.0953	2.2228	1.0955
H7	2.1579	2.4142	1.1102	2.7058	2.1823	2.9749		2.6227	1.7848	3.7547	3.0405	3.9162	2.3715	3.4524
H8	2.1579	2.4142	2.7058	1.1102	2.9749	2.1823	2.6227		3.7547	1.7848	3.9162	3.0405	3.4524	2.3715
H9	2.1241	2.5246	1.0969	3.2959	2.2171	3.3764	1.7848	3.7547		4.1607	2.4049	3.9303	2.7876	4.2139
H10	2.1241	2.5246	3.2959	1.0969	3.3764	2.2171	3.7547	1.7848	4.1607		3.9303	2.4049	4.2139	2.7876
H11	2.8739	3.8267	2.1819	3.1864	1.0953	2.1954	3.0405	3.9162	2.4049	3.9303		2.3226	1.7690	2.9503
H12	2.8739	3.8267	3.1864	2.1819	2.1954	1.0953	3.9162	3.0405	3.9303	2.4049	2.3226		2.9503	1.7690
H13	3.2763	4.0892	2.1966	3.2245	1.0955	2.2228	2.3715	3.4524	2.7876	4.2139	1.7690	2.9503		2.4002
H14	3.2763	4.0892	3.2245	2.1966	2.2228	1.0955	3.4524	2.3715	4.2139	2.7876	2.9503	1.7690	2.4002

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.757	N1	C3	H7	112.631
N1	C3	H9	111.052	N1	C4	C6	102.757
N1	C4	H8	112.631	N1	C4	H10	111.052
H2	N1	C3	111.918	H2	N1	C4	111.918
C3	N1	C4	104.457	C3	C5	C6	104.352
C3	C5	H11	110.233	C3	C5	H13	111.634
C4	C6	C5	104.352	C4	C6	H12	110.233
C4	C6	H14	111.634	C5	C3	H7	109.458
C5	C3	H9	113.164	C5	C6	H12	110.439
C5	C6	H14	112.663	C6	C4	H8	109.458
C6	C4	H10	113.164	C6	C5	H11	110.439
C6	C5	H13	112.663	H7	C3	H9	107.816
H8	C4	H10	107.816	H11	C5	H13	107.539
H12	C6	H14	107.539

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: B97D3/6-311G**

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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Number	Element	Mulliken
1	N	-0.394
2	H	0.188
3	C	-0.090
4	C	-0.090
5	C	-0.223
6	C	-0.223
7	H	0.086
8	H	0.086
9	H	0.103
10	H	0.103
11	H	0.118
12	H	0.118
13	H	0.109
14	H	0.109

	x	y	z	Total
	-0.846	-0.272	0.000	0.888
CHELPG
AIM
ESP

	x	y	z
x	7.064	-0.088	0.000
y	-0.088	7.958	0.000
z	0.000	0.000	8.438

<r²>	109.807
(<r²>)^1/2	10.479

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: B97D3/6-311G**

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)