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	hartrees
Energy at 0K	-283.914711
Energy at 298.15K	-283.924164
HF Energy	-283.287239
Nuclear repulsion energy	236.094536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3589	3479	28.44
2	A	3133	3036	15.29
3	A	3119	3023	15.47
4	A	3081	2986	35.15
5	A	3064	2969	9.96
6	A	3056	2962	10.48
7	A	3011	2919	51.54
8	A	1752	1698	280.44
9	A	1597	1548	5.73
10	A	1563	1514	4.56
11	A	1545	1498	4.95
12	A	1456	1412	14.37
13	A	1393	1350	3.41
14	A	1377	1335	7.45
15	A	1346	1305	0.73
16	A	1290	1250	23.53
17	A	1239	1201	18.18
18	A	1232	1194	126.05
19	A	1216	1178	6.07
20	A	1125	1090	0.79
21	A	1059	1027	16.06
22	A	992	961	15.25
23	A	928	899	2.27
24	A	908	880	7.66
25	A	876	849	2.28
26	A	798	773	5.60
27	A	684	663	6.47
28	A	645	625	42.43
29	A	578	561	77.16
30	A	509	493	60.74
31	A	459	445	8.01
32	A	201	195	3.25
33	A	146	141	0.33

Atom	x (Å)	y (Å)	z (Å)
N1	0.086	-1.111	-0.035
C2	0.918	-0.001	0.001
C3	-0.012	1.234	0.177
C4	-1.420	0.706	-0.229
C5	-1.358	-0.822	0.131
O6	2.158	-0.011	-0.069
H7	0.471	-2.048	-0.063
H8	0.009	1.537	1.234
H9	0.344	2.066	-0.439
H10	-2.241	1.217	0.286
H11	-1.551	0.811	-1.314
H12	-1.693	-0.994	1.167
H13	-1.968	-1.430	-0.550

	N1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.3872	2.3561	2.3676	1.4827	2.3454	1.0137	2.9372	3.2128	3.3070	2.8303	2.1502	2.1417
C2	1.3872		1.5555	2.4528	2.4232	1.2421	2.0965	2.1703	2.1899	3.3972	2.9130	3.0262	3.2670
C3	2.3561	1.5555		1.5572	2.4577	2.5137	3.3259	1.1004	1.0949	2.2316	2.1843	2.9607	3.3834
C4	2.3676	2.4528	1.5572		1.5708	3.6521	3.3447	2.2079	2.2372	1.0959	1.0980	2.2164	2.2279
C5	1.4827	2.4232	2.4577	1.5708		3.6140	2.2109	2.9413	3.4006	2.2268	2.1892	1.1019	1.0975
O6	2.3454	1.2421	2.5137	3.6521	3.6140		2.6447	2.9516	2.7825	4.5807	3.9979	4.1615	4.3893
H7	1.0137	2.0965	3.3259	3.3447	2.2109	2.6447		3.8402	4.1335	4.2586	3.7190	2.7027	2.5630
H8	2.9372	2.1703	1.1004	2.2079	2.9413	2.9516	3.8402		1.7867	2.4629	3.0754	3.0502	3.9865
H9	3.2128	2.1899	1.0949	2.2372	3.4006	2.7825	4.1335	1.7867		2.8158	2.4359	4.0111	4.1927
H10	3.3070	3.3972	2.2316	1.0959	2.2268	4.5807	4.2586	2.4629	2.8158		1.7892	2.4419	2.7885
H11	2.8303	2.9130	2.1843	1.0980	2.1892	3.9979	3.7190	3.0754	2.4359	1.7892		3.0714	2.4040
H12	2.1502	3.0262	2.9607	2.2164	1.1019	4.1615	2.7027	3.0502	4.0111	2.4419	3.0714		1.7924
H13	2.1417	3.2670	3.3834	2.2279	1.0975	4.3893	2.5630	3.9865	4.1927	2.7885	2.4040	1.7924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	106.243	N1	C2	O6	126.168
N1	C5	C4	101.638	N1	C5	H12	111.751
N1	C5	H13	111.333	C2	N1	C5	115.160
C2	N1	H7	120.876	C2	C3	C4	103.995
C2	C3	H8	108.385	C2	C3	H9	110.215
C3	C2	O6	127.577	C3	C4	C5	103.570
C3	C4	H10	113.378	C3	C4	H11	109.482
C4	C3	H8	111.198	C4	C3	H9	113.895
C4	C5	H12	110.825	C4	C5	H13	112.003
C5	N1	H7	123.571	C5	C4	H10	112.009
C5	C4	H11	108.935	H8	C3	H9	108.954
H10	C4	H11	109.276	H12	C5	H13	109.163

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

using model chemistry: QCISD/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: QCISD/3-21G

States and conformations

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