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	hartrees
Energy at 0K	-286.669231
Energy at 298.15K	-286.678598
HF Energy	-286.669231
Nuclear repulsion energy	239.299556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3624	3497	23.05
2	A	3126	3017	22.67
3	A	3115	3006	19.49
4	A	3074	2966	51.58
5	A	3059	2952	12.86
6	A	3050	2943	15.70
7	A	2991	2887	69.17
8	A	1817	1753	397.57
9	A	1544	1490	4.03
10	A	1506	1453	3.80
11	A	1478	1426	2.90
12	A	1442	1392	33.23
13	A	1363	1316	8.54
14	A	1336	1289	14.22
15	A	1299	1253	23.76
16	A	1260	1216	55.24
17	A	1241	1197	32.30
18	A	1205	1163	1.16
19	A	1184	1142	3.69
20	A	1088	1050	1.28
21	A	1076	1038	13.98
22	A	1003	968	9.57
23	A	921	889	0.63
24	A	901	869	1.35
25	A	885	854	3.46
26	A	806	778	4.57
27	A	684	660	8.00
28	A	628	606	18.48
29	A	559	539	38.27
30	A	489	471	54.52
31	A	458	442	9.07
32	A	189	182	3.56
33	A	138	134	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.085	-1.093	-0.078
C2	0.907	0.003	-0.006
C3	-0.009	1.224	0.141
C4	-1.411	0.692	-0.192
C5	-1.326	-0.816	0.136
O6	2.122	-0.014	-0.042
H7	0.481	-2.020	-0.025
H8	0.065	1.572	1.178
H9	0.329	2.037	-0.503
H10	-2.212	1.185	0.363
H11	-1.614	0.818	-1.260
H12	-1.627	-1.022	1.174
H13	-1.954	-1.423	-0.524

	N1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.3725	2.3289	2.3318	1.4531	2.3057	1.0090	2.9465	3.1685	3.2648	2.8170	2.1216	2.1126
C2	1.3725		1.5328	2.4257	2.3826	1.2156	2.0675	2.1380	2.1720	3.3557	2.9316	2.9772	3.2384
C3	2.3289	1.5328		1.5366	2.4279	2.4710	3.2842	1.0964	1.0913	2.2147	2.1690	2.9542	3.3509
C4	2.3318	2.4257	1.5366		1.5457	3.6064	3.3106	2.1982	2.2220	1.0920	1.0941	2.2021	2.2081
C5	1.4531	2.3826	2.4279	1.5457		3.5441	2.1765	2.9538	3.3600	2.2005	2.1684	1.1000	1.0945
O6	2.3057	1.2156	2.4710	3.6064	3.5441		2.5915	2.8697	2.7630	4.5150	4.0171	4.0678	4.3392
H7	1.0090	2.0675	3.2842	3.3106	2.1765	2.5915		3.8108	4.0877	4.2037	3.7370	2.6219	2.5558
H8	2.9465	2.1380	1.0964	2.1982	2.9538	2.8697	3.8108		1.7637	2.4493	3.0548	3.0974	3.9928
H9	3.1685	2.1720	1.0913	2.2220	3.3600	2.7630	4.0877	1.7637		2.8169	2.4162	3.9996	4.1455
H10	3.2648	3.3557	2.2147	1.0920	2.2005	4.5150	4.2037	2.4493	2.8169		1.7680	2.4229	2.7665
H11	2.8170	2.9316	2.1690	1.0941	2.1684	4.0171	3.7370	3.0548	2.4162	1.7680		3.0508	2.3827
H12	2.1216	2.9772	2.9542	2.2021	1.1000	4.0678	2.6219	3.0974	3.9996	2.4229	3.0508		1.7746
H13	2.1126	3.2384	3.3509	2.2081	1.0945	4.3392	2.5558	3.9928	4.1455	2.7665	2.3827	1.7746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	106.437	N1	C2	O6	125.856
N1	C5	C4	102.036	N1	C5	H12	111.658
N1	C5	H13	111.268	C2	N1	C5	114.935
C2	N1	H7	119.710	C2	C3	C4	104.431
C2	C3	H8	107.662	C2	C3	H9	110.600
C3	C2	O6	127.704	C3	C4	C5	103.943
C3	C4	H10	113.745	C3	C4	H11	109.942
C4	C3	H8	112.130	C4	C3	H9	114.393
C4	C5	H12	111.568	C4	C5	H13	112.387
C5	N1	H7	123.246	C5	C4	H10	111.920
C5	C4	H11	109.260	H8	C3	H9	107.452
H10	C4	H11	107.951	H12	C5	H13	107.929

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

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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