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	hartrees
Energy at 0K	-37.232304
Energy at 298.15K	-37.243684
HF Energy	-36.768015
Nuclear repulsion energy	104.700177

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3486	3402	1.89
2	A'	3085	3011	102.72
3	A'	3056	2982	6.11
4	A'	3012	2940	64.24
5	A'	2895	2826	166.87
6	A'	1544	1507	0.33
7	A'	1526	1489	4.61
8	A'	1416	1382	1.46
9	A'	1332	1300	2.14
10	A'	1229	1200	3.39
11	A'	1219	1190	3.89
12	A'	1078	1053	1.23
13	A'	997	973	5.76
14	A'	928	905	2.38
15	A'	884	863	0.80
16	A'	835	815	41.17
17	A'	745	727	51.67
18	A'	546	533	92.83
19	A'	254	248	6.03
20	A"	3064	2990	22.68
21	A"	3048	2974	47.47
22	A"	2996	2924	39.38
23	A"	2892	2823	60.09
24	A"	1529	1493	0.40
25	A"	1510	1474	1.11
26	A"	1453	1418	3.04
27	A"	1336	1304	3.04
28	A"	1297	1266	25.92
29	A"	1251	1221	3.02
30	A"	1185	1157	0.01
31	A"	1127	1100	11.80
32	A"	1106	1080	5.50
33	A"	931	908	0.85
34	A"	869	848	2.82
35	A"	621	606	1.45
36	A"	55	54	0.18

Atom	x (Å)	y (Å)	z (Å)
N1	0.521	-1.131	0.000
H2	0.482	-2.155	0.000
C3	-0.094	-0.473	1.204
C4	-0.094	-0.473	-1.204
C5	-0.094	1.045	0.794
C6	-0.094	1.045	-0.794
H7	-1.137	-0.819	1.393
H8	-1.137	-0.819	-1.393
H9	0.514	-0.673	2.100
H10	0.514	-0.673	-2.100
H11	0.811	1.541	1.179
H12	0.811	1.541	-1.179
H13	-0.976	1.567	1.203
H14	-0.976	1.567	-1.203

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0249	1.5034	1.5034	2.3959	2.3959	2.1878	2.1878	2.1489	2.1489	2.9347	2.9347	3.3116	3.3116
H2	1.0249		2.1468	2.1468	3.3463	3.3463	2.5189	2.5189	2.5701	2.5701	3.8933	3.8933	4.1744	4.1744
C3	1.5034	2.1468		2.4074	1.5722	2.5086	1.1142	2.8193	1.1011	3.3648	2.2086	3.2487	2.2227	3.2758
C4	1.5034	2.1468	2.4074		2.5086	1.5722	2.8193	1.1142	3.3648	1.1011	3.2487	2.2086	3.2758	2.2227
C5	2.3959	3.3463	1.5722	2.5086		1.5872	2.2176	3.0560	2.2416	3.4190	1.1020	2.2263	1.1033	2.2439
C6	2.3959	3.3463	2.5086	1.5722	1.5872		3.0560	2.2176	3.4190	2.2416	2.2263	1.1020	2.2439	1.1033
H7	2.1878	2.5189	1.1142	2.8193	2.2176	3.0560		2.7859	1.8013	3.8656	3.0673	3.9970	2.3992	3.5294
H8	2.1878	2.5189	2.8193	1.1142	3.0560	2.2176	2.7859		3.8656	1.8013	3.9970	3.0673	3.5294	2.3992
H9	2.1489	2.5701	1.1011	3.3648	2.2416	3.4190	1.8013	3.8656		4.1992	2.4162	3.9671	2.8358	4.2593
H10	2.1489	2.5701	3.3648	1.1011	3.4190	2.2416	3.8656	1.8013	4.1992		3.9671	2.4162	4.2593	2.8358
H11	2.9347	3.8933	2.2086	3.2487	1.1020	2.2263	3.0673	3.9970	2.4162	3.9671		2.3576	1.7869	2.9772
H12	2.9347	3.8933	3.2487	2.2086	2.2263	1.1020	3.9970	3.0673	3.9671	2.4162	2.3576		2.9772	1.7869
H13	3.3116	4.1744	2.2227	3.2758	1.1033	2.2439	2.3992	3.5294	2.8358	4.2593	1.7869	2.9772		2.4053
H14	3.3116	4.1744	3.2758	2.2227	2.2439	1.1033	3.5294	2.3992	4.2593	2.8358	2.9772	1.7869	2.4053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.316	N1	C3	H7	112.546
N1	C3	H9	110.237	N1	C4	C6	102.316
N1	C4	H8	112.546	N1	C4	H10	110.237
H2	N1	C3	114.914	H2	N1	C4	114.914
C3	N1	C4	106.385	C3	C5	C6	105.121
C3	C5	H11	110.116	C3	C5	H13	111.145
C4	C6	C5	105.121	C4	C6	H12	110.116
C4	C6	H14	111.145	C5	C3	H7	110.104
C5	C3	H9	112.784	C5	C6	H12	110.457
C5	C6	H14	111.761	C6	C4	H8	110.104
C6	C4	H10	112.784	C6	C5	H11	110.457
C6	C5	H13	111.761	H7	C3	H9	108.803
H8	C4	H10	108.803	H11	C5	H13	108.239
H12	C6	H14	108.239

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: MP2/CEP-121G

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: MP2/CEP-121G

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)