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	hartrees
Energy at 0K	-285.127454
Energy at 298.15K	-285.136815
Nuclear repulsion energy	240.432655

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3560	3507	40.88
2	A	3082	3036	4.55
3	A	3070	3024	12.55
4	A	3025	2980	28.63
5	A	3006	2961	14.29
6	A	2992	2947	7.24
7	A	2932	2888	58.54
8	A	1802	1775	497.26
9	A	1467	1445	7.32
10	A	1432	1411	24.84
11	A	1408	1387	28.68
12	A	1393	1372	24.70
13	A	1324	1304	10.75
14	A	1292	1272	23.00
15	A	1264	1245	46.20
16	A	1227	1209	21.94
17	A	1203	1185	1.59
18	A	1173	1155	4.30
19	A	1139	1122	4.45
20	A	1074	1057	12.00
21	A	1044	1029	2.04
22	A	995	980	13.18
23	A	928	914	0.55
24	A	892	879	3.23
25	A	881	867	0.69
26	A	805	793	5.57
27	A	681	671	8.56
28	A	625	615	23.68
29	A	556	548	47.21
30	A	481	474	52.23
31	A	457	450	8.12
32	A	209	206	2.97
33	A	154	151	0.82

Atom	x (Å)	y (Å)	z (Å)
N1	0.077	-1.088	-0.069
C2	0.893	0.003	-0.007
C3	-0.011	1.207	0.154
C4	-1.392	0.687	-0.209
C5	-1.319	-0.800	0.139
O6	2.115	-0.014	-0.050
H7	0.480	-2.024	-0.043
H8	0.053	1.526	1.213
H9	0.350	2.046	-0.460
H10	-2.218	1.198	0.310
H11	-1.557	0.797	-1.296
H12	-1.618	-0.981	1.193
H13	-1.966	-1.418	-0.506

	N1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.3644	2.3081	2.3084	1.4403	2.3041	1.0198	2.9111	3.1702	3.2616	2.7794	2.1161	2.1151
C2	1.3644		1.5147	2.3940	2.3579	1.2226	2.0693	2.1238	2.1618	3.3481	2.8796	2.9523	3.2321
C3	2.3081	1.5147		1.5195	2.3954	2.4607	3.2748	1.1070	1.1006	2.2124	2.1583	2.9068	3.3394
C4	2.3084	2.3940	1.5195		1.5288	3.5800	3.2994	2.1938	2.2236	1.1013	1.1043	2.1910	2.2026
C5	1.4403	2.3579	2.3954	1.5288		3.5277	2.1843	2.9054	3.3529	2.1974	2.1594	1.1107	1.1038
O6	2.3041	1.2226	2.4607	3.5800	3.5277		2.5908	2.8662	2.7435	4.5140	3.9610	4.0517	4.3401
H7	1.0198	2.0693	3.2748	3.2994	2.1843	2.5908		3.7894	4.0936	4.2180	3.6983	2.6497	2.5628
H8	2.9111	2.1238	1.1070	2.1938	2.9054	2.8662	3.7894		1.7767	2.4663	3.0681	3.0126	3.9622
H9	3.1702	2.1618	1.1006	2.2236	3.3529	2.7435	4.0936	1.7767		2.8122	2.4277	3.9710	4.1676
H10	3.2616	3.3481	2.2124	1.1013	2.1974	4.5140	4.2180	2.4663	2.8122		1.7820	2.4267	2.7523
H11	2.7794	2.8796	2.1583	1.1043	2.1594	3.9610	3.6983	3.0681	2.4277	1.7820		3.0592	2.3870
H12	2.1161	2.9523	2.9068	2.1910	1.1107	4.0517	2.6497	3.0126	3.9710	2.4267	3.0592		1.7892
H13	2.1151	3.2321	3.3394	2.2026	1.1038	4.3401	2.5628	3.9622	4.1676	2.7523	2.3870	1.7892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	106.459	N1	C2	O6	125.812
N1	C5	C4	102.020	N1	C5	H12	111.437
N1	C5	H13	111.795	C2	N1	C5	114.394
C2	N1	H7	119.740	C2	C3	C4	104.186
C2	C3	H8	107.178	C2	C3	H9	110.497
C3	C2	O6	127.716	C3	C4	C5	103.592
C3	C4	H10	114.223	C3	C4	H11	109.676
C4	C3	H8	112.340	C4	C3	H9	115.202
C4	C5	H12	111.229	C4	C5	H13	112.578
C5	N1	H7	124.327	C5	C4	H10	112.313
C5	C4	H11	109.134	H8	C3	H9	107.184
H10	C4	H11	107.796	H12	C5	H13	107.794

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	N	-0.311
2	C	0.216
3	C	-0.247
4	C	-0.366
5	C	-0.306
6	O	-0.497
7	H	0.322
8	H	0.214
9	H	0.213
10	H	0.188
11	H	0.204
12	H	0.186
13	H	0.184

	x	y	z	Total
	-4.289	-0.673	0.361	4.356
CHELPG
AIM
ESP

	x	y	z
x	10.097	0.464	-0.125
y	0.464	8.710	0.087
z	-0.125	0.087	6.702

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31+G**

States and conformations

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