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	hartrees
Energy at 0K	-285.760026
Energy at 298.15K	-285.769533
HF Energy	-284.877636
Nuclear repulsion energy	239.601463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3668	3472	38.20
2	A	3171	3002	15.98
3	A	3160	2991	15.65
4	A	3130	2962	34.13
5	A	3106	2940	15.33
6	A	3095	2930	10.50
7	A	3052	2888	56.59
8	A	1895	1793	444.10
9	A	1591	1505	2.79
10	A	1555	1472	7.83
11	A	1527	1446	4.48
12	A	1497	1417	64.73
13	A	1414	1338	10.32
14	A	1387	1313	26.13
15	A	1360	1287	41.69
16	A	1313	1243	66.69
17	A	1280	1212	4.24
18	A	1251	1184	1.02
19	A	1219	1154	6.01
20	A	1128	1068	0.17
21	A	1119	1059	15.06
22	A	1035	980	11.77
23	A	955	904	0.83
24	A	938	888	1.94
25	A	922	873	4.66
26	A	847	802	5.76
27	A	712	674	12.45
28	A	650	615	19.47
29	A	570	540	52.66
30	A	503	476	82.80
31	A	476	450	14.92
32	A	208	197	6.87
33	A	141	134	2.43

Atom	x (Å)	y (Å)	z (Å)
N1	0.081	-1.094	-0.099
C2	0.901	0.001	-0.010
C3	-0.008	1.218	0.145
C4	-1.406	0.689	-0.202
C5	-1.324	-0.808	0.151
O6	2.118	-0.012	-0.036
H7	0.484	-2.019	-0.011
H8	0.057	1.553	1.189
H9	0.339	2.040	-0.488
H10	-2.213	1.198	0.335
H11	-1.593	0.798	-1.277
H12	-1.597	-0.988	1.203
H13	-1.973	-1.426	-0.480

	N1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.3715	2.3266	2.3249	1.4556	2.3075	1.0118	2.9436	3.1689	3.2723	2.7878	2.1265	2.1152
C2	1.3715		1.5264	2.4155	2.3731	1.2174	2.0628	2.1344	2.1680	3.3542	2.9085	2.9480	3.2431
C3	2.3266	1.5264		1.5344	2.4156	2.4629	3.2772	1.0986	1.0937	2.2135	2.1694	2.9173	3.3523
C4	2.3249	2.4155	1.5344		1.5406	3.5974	3.3077	2.1954	2.2253	1.0946	1.0963	2.1961	2.2072
C5	1.4556	2.3731	2.4156	1.5406		3.5378	2.1813	2.9250	3.3592	2.2021	2.1660	1.1013	1.0958
O6	2.3075	1.2174	2.4629	3.5974	3.5378		2.5883	2.8629	2.7534	4.5126	3.9960	4.0360	4.3511
H7	1.0118	2.0628	3.2772	3.3077	2.1813	2.5883		3.7915	4.0891	4.2118	3.7213	2.6199	2.5699
H8	2.9436	2.1344	1.0986	2.1954	2.9250	2.8629	3.7915		1.7686	2.4511	3.0607	3.0317	3.9717
H9	3.1689	2.1680	1.0937	2.2253	3.3592	2.7534	4.0891	1.7686		2.8107	2.4280	3.9718	4.1659
H10	3.2723	3.3542	2.2135	1.0946	2.2021	4.5126	4.2118	2.4511	2.8107		1.7726	2.4314	2.7579
H11	2.7878	2.9085	2.1694	1.0963	2.1660	3.9960	3.7213	3.0607	2.4280	1.7726		3.0559	2.3929
H12	2.1265	2.9480	2.9173	2.1961	1.1013	4.0360	2.6199	3.0317	3.9718	2.4314	3.0559		1.7787
H13	2.1152	3.2431	3.3523	2.2072	1.0958	4.3511	2.5699	3.9717	4.1659	2.7579	2.3929	1.7787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	106.685	N1	C2	O6	125.975
N1	C5	C4	101.743	N1	C5	H12	111.797
N1	C5	H13	111.221	C2	N1	C5	114.130
C2	N1	H7	119.116	C2	C3	C4	104.218
C2	C3	H8	107.684	C2	C3	H9	110.589
C3	C2	O6	127.335	C3	C4	C5	103.546
C3	C4	H10	113.646	C3	C4	H11	109.997
C4	C3	H8	111.921	C4	C3	H9	114.678
C4	C5	H12	111.368	C4	C5	H13	112.594
C5	N1	H7	123.264	C5	C4	H10	112.260
C5	C4	H11	109.292	H8	C3	H9	107.558
H10	C4	H11	108.014	H12	C5	H13	108.101

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

using model chemistry: CCD/6-31G*

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/6-31G*

States and conformations

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