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	hartrees
Energy at 0K	-285.829761
Energy at 298.15K	-285.839270
HF Energy	-284.897925
Nuclear repulsion energy	239.832137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3700	3475	46.28
2	A	3226	3030	12.97
3	A	3215	3020	14.50
4	A	3188	2994	24.77
5	A	3149	2958	19.78
6	A	3138	2947	10.27
7	A	3100	2912	58.92
8	A	1798	1689	480.22
9	A	1580	1484	3.57
10	A	1541	1447	7.29
11	A	1512	1420	4.83
12	A	1474	1384	40.73
13	A	1396	1311	5.53
14	A	1375	1292	23.01
15	A	1344	1262	43.63
16	A	1296	1218	70.32
17	A	1273	1196	12.66
18	A	1236	1161	1.67
19	A	1209	1136	4.71
20	A	1116	1048	1.69
21	A	1106	1039	14.35
22	A	1029	967	12.72
23	A	953	895	0.98
24	A	933	876	1.42
25	A	917	861	5.98
26	A	839	788	3.02
27	A	699	656	8.88
28	A	642	603	13.04
29	A	560	526	46.36
30	A	496	466	80.46
31	A	469	440	9.82
32	A	218	205	5.74
33	A	144	135	1.69

Atom	x (Å)	y (Å)	z (Å)
N1	0.076	-1.095	-0.091
C2	0.896	0.001	-0.008
C3	-0.011	1.213	0.155
C4	-1.399	0.689	-0.215
C5	-1.328	-0.800	0.153
O6	2.126	-0.012	-0.042
H7	0.474	-2.019	-0.021
H8	0.040	1.523	1.200
H9	0.342	2.038	-0.458
H10	-2.210	1.200	0.299
H11	-1.559	0.784	-1.288
H12	-1.595	-0.963	1.201
H13	-1.972	-1.419	-0.469

	N1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.3718	2.3221	2.3174	1.4547	2.3192	1.0090	2.9198	3.1654	3.2624	2.7634	2.1164	2.1074
C2	1.3718		1.5223	2.4049	2.3694	1.2300	2.0640	2.1237	2.1583	3.3439	2.8775	2.9323	3.2337
C3	2.3221	1.5223		1.5288	2.4049	2.4706	3.2728	1.0921	1.0868	2.2038	2.1588	2.8874	3.3403
C4	2.3174	2.4049	1.5288		1.5349	3.5977	3.2983	2.1841	2.2159	1.0879	1.0897	2.1844	2.1984
C5	1.4547	2.3694	2.4049	1.5349		3.5477	2.1829	2.8924	3.3487	2.1908	2.1545	1.0941	1.0884
O6	2.3192	1.2300	2.4706	3.5977	3.5477		2.5996	2.8726	2.7486	4.5150	3.9698	4.0370	4.3537
H7	1.0090	2.0640	3.2728	3.2983	2.1829	2.5996		3.7726	4.0826	4.2039	3.6877	2.6255	2.5587
H8	2.9198	2.1237	1.0921	2.1841	2.8924	2.8726	3.7726		1.7624	2.4456	3.0488	2.9759	3.9358
H9	3.1654	2.1583	1.0868	2.2159	3.3487	2.7486	4.0826	1.7624		2.7907	2.4231	3.9383	4.1595
H10	3.2624	3.3439	2.2038	1.0879	2.1908	4.5150	4.2039	2.4456	2.7907		1.7654	2.4230	2.7390
H11	2.7634	2.8775	2.1588	1.0897	2.1545	3.9698	3.6877	3.0488	2.4231	1.7654		3.0421	2.3868
H12	2.1164	2.9323	2.8874	2.1844	1.0941	4.0370	2.6255	2.9759	3.9383	2.4230	3.0421		1.7717
H13	2.1074	3.2337	3.3403	2.1984	1.0884	4.3537	2.5587	3.9358	4.1595	2.7390	2.3868	1.7717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	106.600	N1	C2	O6	126.010
N1	C5	C4	101.604	N1	C5	H12	111.489
N1	C5	H13	111.104	C2	N1	C5	113.885
C2	N1	H7	119.425	C2	C3	C4	104.041
C2	C3	H8	107.509	C2	C3	H9	110.518
C3	C2	O6	127.384	C3	C4	C5	103.435
C3	C4	H10	113.687	C3	C4	H11	109.930
C4	C3	H8	111.810	C4	C3	H9	114.759
C4	C5	H12	111.274	C4	C5	H13	112.756
C5	N1	H7	123.736	C5	C4	H10	112.165
C5	C4	H11	109.169	H8	C3	H9	107.964
H10	C4	H11	108.338	H12	C5	H13	108.544

All results from a given calculation for C₄H₇NO (2-Pyrrolidinone)

using model chemistry: MP2=FULL/6-31+G**

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for C4H7NO (2-Pyrrolidinone)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for C₄H₇NO (2-Pyrrolidinone)