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	hartrees
Energy at 0K	-52.295824
Energy at 298.15K	-52.305262
HF Energy	-51.433423
Nuclear repulsion energy	129.152741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3626	3455	34.41
2	A	3177	3027	25.29
3	A	3165	3015	16.92
4	A	3140	2992	32.26
5	A	3099	2953	23.38
6	A	3089	2943	14.89
7	A	3050	2906	69.88
8	A	1773	1689	431.83
9	A	1568	1494	2.67
10	A	1535	1463	8.10
11	A	1508	1437	6.13
12	A	1452	1384	36.82
13	A	1379	1314	4.96
14	A	1363	1298	21.95
15	A	1334	1271	49.43
16	A	1276	1215	59.27
17	A	1259	1199	21.56
18	A	1226	1168	1.61
19	A	1197	1140	5.57
20	A	1104	1052	0.87
21	A	1094	1042	14.68
22	A	1017	969	14.26
23	A	940	895	0.76
24	A	917	874	1.58
25	A	901	859	5.67
26	A	826	787	3.95
27	A	692	660	13.45
28	A	627	598	14.72
29	A	556	530	54.22
30	A	490	467	76.56
31	A	459	438	12.82
32	A	214	204	6.64
33	A	140	134	2.71

Atom	x (Å)	y (Å)	z (Å)
N1	0.100	-1.101	-0.115
C2	0.926	0.004	-0.012
C3	0.006	1.224	0.147
C4	-1.394	0.690	-0.213
C5	-1.311	-0.810	0.158
O6	2.161	-0.012	-0.037
H7	0.511	-2.026	-0.020
H8	0.062	1.544	1.196
H9	0.357	2.049	-0.478
H10	-2.205	1.199	0.317
H11	-1.566	0.786	-1.291
H12	-1.562	-0.973	1.217
H13	-1.966	-1.434	-0.459

	N1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.3837	2.3419	2.3347	1.4664	2.3326	1.0159	2.9526	3.1814	3.2844	2.7790	2.1331	2.1207
C2	1.3837		1.5359	2.4272	2.3868	1.2356	2.0717	2.1395	2.1728	3.3666	2.9080	2.9418	3.2604
C3	2.3419	1.5359		1.5409	2.4238	2.4909	3.2928	1.0979	1.0929	2.2173	2.1753	2.9035	3.3649
C4	2.3347	2.4272	1.5409		1.5481	3.6277	3.3228	2.1987	2.2316	1.0940	1.0955	2.2001	2.2139
C5	1.4664	2.3868	2.4238	1.5481		3.5683	2.1974	2.9170	3.3708	2.2046	2.1709	1.1004	1.0947
O6	2.3326	1.2356	2.4909	3.6277	3.5683		2.6034	2.8891	2.7741	4.5441	4.0127	4.0442	4.3855
H7	1.0159	2.0717	3.2928	3.3228	2.1974	2.6034		3.7978	4.1029	4.2289	3.7198	2.6331	2.5841
H8	2.9526	2.1395	1.0979	2.1987	2.9170	2.8891	3.7978		1.7732	2.4555	3.0675	2.9959	3.9653
H9	3.1814	2.1728	1.0929	2.2316	3.3708	2.7741	4.1029	1.7732		2.8134	2.4397	3.9607	4.1864
H10	3.2844	3.3666	2.2173	1.0940	2.2046	4.5441	4.2289	2.4555	2.8134		1.7782	2.4374	2.7553
H11	2.7790	2.9080	2.1753	1.0955	2.1709	4.0127	3.7198	3.0675	2.4397	1.7782		3.0633	2.4045
H12	2.1331	2.9418	2.9035	2.2001	1.1004	4.0442	2.6331	2.9959	3.9607	2.4374	3.0633		1.7847
H13	2.1207	3.2604	3.3649	2.2139	1.0947	4.3855	2.5841	3.9653	4.1864	2.7553	2.4045	1.7847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	106.549	N1	C2	O6	125.793
N1	C5	C4	101.484	N1	C5	H12	111.620
N1	C5	H13	110.967	C2	N1	C5	113.714
C2	N1	H7	118.582	C2	C3	C4	104.157
C2	C3	H8	107.481	C2	C3	H9	110.351
C3	C2	O6	127.656	C3	C4	C5	103.374
C3	C4	H10	113.514	C3	C4	H11	110.048
C4	C3	H8	111.760	C4	C3	H9	114.771
C4	C5	H12	111.218	C4	C5	H13	112.671
C5	N1	H7	123.546	C5	C4	H10	111.958
C5	C4	H11	109.213	H8	C3	H9	108.070
H10	C4	H11	108.609	H12	C5	H13	108.786

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

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 C4H7NO (2-Pyrrolidinone)

using model chemistry: MP2/CEP-121G*

States and conformations

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