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	hartrees
Energy at 0K	-283.904079
Energy at 298.15K	-283.913551
HF Energy	-283.288333
Nuclear repulsion energy	236.616037

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3612	3455	29.31
2	A	3144	3008	15.58
3	A	3132	2995	14.10
4	A	3092	2957	35.11
5	A	3076	2942	9.28
6	A	3067	2934	10.14
7	A	3022	2891	50.38
8	A	1807	1728	303.43
9	A	1603	1533	4.17
10	A	1568	1499	5.00
11	A	1550	1483	5.23
12	A	1472	1408	22.12
13	A	1401	1340	5.02
14	A	1384	1323	6.29
15	A	1352	1294	0.96
16	A	1296	1240	36.06
17	A	1250	1195	118.99
18	A	1243	1189	24.13
19	A	1221	1168	7.10
20	A	1130	1081	0.79
21	A	1070	1024	17.01
22	A	999	956	14.56
23	A	933	892	2.40
24	A	914	874	8.00
25	A	883	845	2.48
26	A	807	772	5.43
27	A	692	662	6.83
28	A	649	621	37.45
29	A	580	555	76.79
30	A	511	489	69.57
31	A	468	448	8.41
32	A	202	193	3.47
33	A	146	140	0.37

Atom	x (Å)	y (Å)	z (Å)
N1	0.087	-1.109	-0.036
C2	0.916	-0.002	0.001
C3	-0.009	1.232	0.176
C4	-1.417	0.706	-0.228
C5	-1.355	-0.821	0.131
O6	2.149	-0.011	-0.069
H7	0.470	-2.046	-0.061
H8	0.013	1.535	1.233
H9	0.347	2.064	-0.439
H10	-2.237	1.217	0.287
H11	-1.549	0.811	-1.313
H12	-1.690	-0.992	1.166
H13	-1.966	-1.427	-0.549

	N1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.3838	2.3526	2.3646	1.4799	2.3363	1.0123	2.9340	3.2089	3.3036	2.8274	2.1485	2.1395
C2	1.3838		1.5521	2.4484	2.4175	1.2351	2.0931	2.1669	2.1871	3.3920	2.9095	3.0214	3.2615
C3	2.3526	1.5521		1.5560	2.4545	2.5030	3.3211	1.0998	1.0944	2.2300	2.1830	2.9582	3.3797
C4	2.3646	2.4484	1.5560		1.5691	3.6406	3.3404	2.2062	2.2360	1.0952	1.0975	2.2141	2.2254
C5	1.4799	2.4175	2.4545	1.5691		3.6017	2.2064	2.9383	3.3971	2.2255	2.1873	1.1015	1.0970
O6	2.3363	1.2351	2.5030	3.6406	3.6017		2.6379	2.9413	2.7730	4.5683	3.9877	4.1503	4.3777
H7	1.0123	2.0931	3.3211	3.3404	2.2064	2.6379		3.8349	4.1287	4.2535	3.7157	2.6981	2.5599
H8	2.9340	2.1669	1.0998	2.2062	2.9383	2.9413	3.8349		1.7856	2.4607	3.0734	3.0480	3.9830
H9	3.2089	2.1871	1.0944	2.2360	3.3971	2.7730	4.1287	1.7856		2.8143	2.4349	4.0082	4.1887
H10	3.3036	3.3920	2.2300	1.0952	2.2255	4.5683	4.2535	2.4607	2.8143		1.7880	2.4397	2.7863
H11	2.8274	2.9095	2.1830	1.0975	2.1873	3.9877	3.7157	3.0734	2.4349	1.7880		3.0686	2.4010
H12	2.1485	3.0214	2.9582	2.2141	1.1015	4.1503	2.6981	3.0480	4.0082	2.4397	3.0686		1.7910
H13	2.1395	3.2615	3.3797	2.2254	1.0970	4.3777	2.5599	3.9830	4.1887	2.7863	2.4010	1.7910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	106.372	N1	C2	O6	126.181
N1	C5	C4	101.666	N1	C5	H12	111.837
N1	C5	H13	111.380	C2	N1	C5	115.126
C2	N1	H7	120.965	C2	C3	C4	103.953
C2	C3	H8	108.389	C2	C3	H9	110.269
C3	C2	O6	127.436	C3	C4	C5	103.518
C3	C4	H10	113.373	C3	C4	H11	109.499
C4	C3	H8	111.180	C4	C3	H9	113.921
C4	C5	H12	110.790	C4	C5	H13	111.943
C5	N1	H7	123.489	C5	C4	H10	112.067
C5	C4	H11	108.932	H8	C3	H9	108.930
H10	C4	H11	109.262	H12	C5	H13	109.104

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

using model chemistry: CCD/3-21G*

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 C4H7NO (2-Pyrrolidinone)

using model chemistry: CCD/3-21G*

States and conformations

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