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	hartrees
Energy at 0K	-285.771117
Energy at 298.15K	-285.780601
HF Energy	-284.876944
Nuclear repulsion energy	239.250471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3652	3478	35.43
2	A	3159	3008	16.55
3	A	3146	2996	19.62
4	A	3117	2969	36.62
5	A	3093	2945	16.28
6	A	3083	2936	11.86
7	A	3039	2894	58.81
8	A	1851	1763	406.77
9	A	1586	1510	2.95
10	A	1551	1477	6.70
11	A	1524	1452	4.48
12	A	1485	1414	51.89
13	A	1406	1339	8.80
14	A	1381	1315	21.82
15	A	1353	1288	38.78
16	A	1305	1243	68.79
17	A	1276	1215	6.01
18	A	1246	1187	1.03
19	A	1215	1157	5.64
20	A	1124	1070	0.12
21	A	1111	1058	14.68
22	A	1030	981	12.01
23	A	950	905	0.79
24	A	935	890	1.80
25	A	917	873	4.37
26	A	842	802	5.71
27	A	707	673	12.64
28	A	644	614	19.71
29	A	567	540	54.70
30	A	501	477	78.88
31	A	470	447	12.38
32	A	209	199	6.59
33	A	141	135	2.33

Atom	x (Å)	y (Å)	z (Å)
N1	0.081	-1.095	-0.100
C2	0.902	0.002	-0.010
C3	-0.010	1.219	0.145
C4	-1.408	0.689	-0.203
C5	-1.326	-0.809	0.152
O6	2.124	-0.012	-0.035
H7	0.484	-2.020	-0.011
H8	0.053	1.552	1.191
H9	0.336	2.043	-0.486
H10	-2.217	1.198	0.331
H11	-1.592	0.796	-1.279
H12	-1.596	-0.987	1.206
H13	-1.976	-1.428	-0.477

	N1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.3741	2.3289	2.3258	1.4572	2.3141	1.0127	2.9457	3.1721	3.2749	2.7864	2.1279	2.1168
C2	1.3741		1.5282	2.4175	2.3763	1.2226	2.0650	2.1363	2.1702	3.3578	2.9087	2.9492	3.2475
C3	2.3289	1.5282		1.5350	2.4168	2.4703	3.2798	1.0992	1.0943	2.2149	2.1703	2.9163	3.3552
C4	2.3258	2.4175	1.5350		1.5413	3.6049	3.3097	2.1962	2.2260	1.0953	1.0970	2.1973	2.2089
C5	1.4572	2.3763	2.4168	1.5413		3.5457	2.1838	2.9246	3.3615	2.2031	2.1667	1.1019	1.0964
O6	2.3141	1.2226	2.4703	3.6049	3.5457		2.5929	2.8704	2.7606	4.5217	4.0011	4.0415	4.3602
H7	1.0127	2.0650	3.2798	3.3097	2.1838	2.5929		3.7933	4.0930	4.2153	3.7212	2.6219	2.5726
H8	2.9457	2.1363	1.0992	2.1962	2.9246	2.8704	3.7933		1.7699	2.4532	3.0626	3.0279	3.9724
H9	3.1721	2.1702	1.0943	2.2260	3.3615	2.7606	4.0930	1.7699		2.8109	2.4293	3.9718	4.1705
H10	3.2749	3.3578	2.2149	1.0953	2.2031	4.5217	4.2153	2.4532	2.8109		1.7739	2.4339	2.7584
H11	2.7864	2.9087	2.1703	1.0970	2.1667	4.0011	3.7212	3.0626	2.4293	1.7739		3.0582	2.3955
H12	2.1279	2.9492	2.9163	2.1973	1.1019	4.0415	2.6219	3.0279	3.9718	2.4339	3.0582		1.7799
H13	2.1168	3.2475	3.3552	2.2089	1.0964	4.3602	2.5726	3.9724	4.1705	2.7584	2.3955	1.7799

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	106.602	N1	C2	O6	125.942
N1	C5	C4	101.698	N1	C5	H12	111.761
N1	C5	H13	111.203	C2	N1	C5	114.100
C2	N1	H7	119.032	C2	C3	C4	104.223
C2	C3	H8	107.679	C2	C3	H9	110.595
C3	C2	O6	127.451	C3	C4	C5	103.561
C3	C4	H10	113.669	C3	C4	H11	109.982
C4	C3	H8	111.905	C4	C3	H9	114.658
C4	C5	H12	111.376	C4	C5	H13	112.655
C5	N1	H7	123.295	C5	C4	H10	112.247
C5	C4	H11	109.267	H8	C3	H9	107.586
H10	C4	H11	108.026	H12	C5	H13	108.127

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

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

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