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	hartrees
Energy at 0K	-285.604697
Energy at 298.15K	-285.614331
HF Energy	-284.879297
Nuclear repulsion energy	241.033585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3790	3500	48.19
2	A	3267	3018	16.80
3	A	3255	3007	18.74
4	A	3228	2982	36.24
5	A	3200	2956	16.41
6	A	3190	2947	11.65
7	A	3152	2912	59.81
8	A	1949	1800	515.14
9	A	1640	1515	3.06
10	A	1603	1480	8.99
11	A	1571	1451	4.29
12	A	1551	1433	68.74
13	A	1464	1352	10.96
14	A	1436	1327	31.68
15	A	1409	1302	37.72
16	A	1357	1253	72.94
17	A	1324	1223	5.42
18	A	1296	1197	0.91
19	A	1261	1164	6.24
20	A	1166	1077	0.51
21	A	1151	1063	16.58
22	A	1064	983	12.40
23	A	981	906	1.16
24	A	966	892	2.55
25	A	948	876	4.24
26	A	872	806	5.58
27	A	731	675	12.70
28	A	675	623	25.81
29	A	592	547	55.77
30	A	516	476	81.36
31	A	492	455	14.53
32	A	208	192	6.38
33	A	147	135	1.71

Atom	x (Å)	y (Å)	z (Å)
N1	0.083	-1.088	-0.083
C2	0.897	-0.000	-0.008
C3	-0.005	1.212	0.146
C4	-1.399	0.688	-0.200
C5	-1.319	-0.805	0.142
O6	2.104	-0.012	-0.041
H7	0.480	-2.007	-0.024
H8	0.061	1.543	1.182
H9	0.340	2.027	-0.482
H10	-2.198	1.191	0.337
H11	-1.585	0.804	-1.265
H12	-1.606	-0.994	1.179
H13	-1.951	-1.414	-0.499

	N1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.3608	2.3127	2.3161	1.4474	2.2900	1.0030	2.9194	3.1510	3.2519	2.7861	2.1106	2.1019
C2	1.3608		1.5185	2.4043	2.3621	1.2078	2.0499	2.1203	2.1548	3.3342	2.8964	2.9431	3.2177
C3	2.3127	1.5185		1.5281	2.4070	2.4460	3.2597	1.0902	1.0854	2.2012	2.1571	2.9147	3.3314
C4	2.3161	2.4043	1.5281		1.5343	3.5758	3.2905	2.1844	2.2129	1.0863	1.0880	2.1848	2.1945
C5	1.4474	2.3621	2.4070	1.5343		3.5182	2.1699	2.9155	3.3413	2.1905	2.1547	1.0923	1.0873
O6	2.2900	1.2078	2.4460	3.5758	3.5182		2.5722	2.8442	2.7319	4.4834	3.9721	4.0274	4.3153
H7	1.0030	2.0499	3.2597	3.2905	2.1699	2.5722		3.7728	4.0624	4.1874	3.7029	2.6131	2.5475
H8	2.9194	2.1203	1.0902	2.1844	2.9155	2.8442	3.7728		1.7555	2.4376	3.0409	3.0358	3.9525
H9	3.1510	2.1548	1.0854	2.2129	3.3413	2.7319	4.0624	1.7555		2.7952	2.4120	3.9591	4.1347
H10	3.2519	3.3342	2.2012	1.0863	2.1905	4.4834	4.1874	2.4376	2.7952		1.7587	2.4154	2.7476
H11	2.7861	2.8964	2.1571	1.0880	2.1547	3.9721	3.7029	3.0409	2.4120	1.7587		3.0345	2.3756
H12	2.1106	2.9431	2.9147	2.1848	1.0923	4.0274	2.6131	3.0358	3.9591	2.4154	3.0345		1.7638
H13	2.1019	3.2177	3.3314	2.1945	1.0873	4.3153	2.5475	3.9525	4.1347	2.7476	2.3756	1.7638

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	106.753	N1	C2	O6	126.030
N1	C5	C4	101.892	N1	C5	H12	111.644
N1	C5	H13	111.251	C2	N1	C5	114.487
C2	N1	H7	119.501	C2	C3	C4	104.216
C2	C3	H8	107.601	C2	C3	H9	110.589
C3	C2	O6	127.210	C3	C4	C5	103.619
C3	C4	H10	113.617	C3	C4	H11	109.947
C4	C3	H8	111.998	C4	C3	H9	114.655
C4	C5	H12	111.450	C4	C5	H13	112.547
C5	N1	H7	123.605	C5	C4	H10	112.283
C5	C4	H11	109.327	H8	C3	H9	107.582
H10	C4	H11	107.967	H12	C5	H13	108.046

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

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

States and conformations

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