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	hartrees
Energy at 0K	-284.892982
Energy at 298.15K	-284.902709
Nuclear repulsion energy	241.446137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3895	3516	51.67
2	A	3287	2967	23.53
3	A	3271	2952	32.76
4	A	3246	2929	52.03
5	A	3217	2904	21.56
6	A	3211	2899	17.55
7	A	3171	2862	74.42
8	A	2000	1805	596.64
9	A	1674	1511	3.81
10	A	1633	1474	11.95
11	A	1599	1444	28.66
12	A	1597	1442	41.07
13	A	1507	1360	13.41
14	A	1475	1331	34.06
15	A	1445	1304	33.88
16	A	1387	1252	92.55
17	A	1357	1224	11.87
18	A	1330	1200	0.54
19	A	1294	1168	6.66
20	A	1197	1081	0.54
21	A	1164	1051	20.44
22	A	1075	970	11.90
23	A	988	892	2.36
24	A	983	887	4.70
25	A	956	863	3.96
26	A	886	800	5.70
27	A	747	674	13.38
28	A	695	627	31.43
29	A	611	552	56.58
30	A	525	474	77.29
31	A	507	458	18.69
32	A	201	182	5.92
33	A	150	135	1.05

Atom	x (Å)	y (Å)	z (Å)
N1	0.089	-1.088	-0.076
C2	0.898	-0.001	-0.007
C3	-0.001	1.215	0.140
C4	-1.403	0.690	-0.190
C5	-1.315	-0.811	0.134
O6	2.093	-0.012	-0.042
H7	0.485	-1.998	-0.028
H8	0.077	1.556	1.169
H9	0.340	2.019	-0.499
H10	-2.190	1.184	0.365
H11	-1.607	0.820	-1.247
H12	-1.614	-1.016	1.160
H13	-1.936	-1.412	-0.520

	N1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.3559	2.3146	2.3238	1.4470	2.2748	0.9941	2.9218	3.1452	3.2485	2.8089	2.1063	2.0987
C2	1.3559		1.5194	2.4091	2.3609	1.1961	2.0391	2.1169	2.1527	3.3289	2.9134	2.9501	3.2068
C3	2.3146	1.5194		1.5328	2.4154	2.4337	3.2542	1.0866	1.0817	2.2016	2.1589	2.9364	3.3290
C4	2.3238	2.4091	1.5328		1.5384	3.5689	3.2892	2.1870	2.2132	1.0827	1.0847	2.1859	2.1939
C5	1.4470	2.3609	2.4154	1.5384		3.5056	2.1628	2.9344	3.3392	2.1909	2.1571	1.0886	1.0836
O6	2.2748	1.1961	2.4337	3.5689	3.5056		2.5558	2.8264	2.7213	4.4662	3.9800	4.0250	4.2925
H7	0.9941	2.0391	3.2542	3.2892	2.1628	2.5558		3.7721	4.0471	4.1762	3.7160	2.6050	2.5395
H8	2.9218	2.1169	1.0866	2.1870	2.9344	2.8264	3.7721		1.7507	2.4339	3.0353	3.0777	3.9636
H9	3.1452	2.1527	1.0817	2.2132	3.3392	2.7213	4.0471	1.7507		2.8015	2.4062	3.9727	4.1173
H10	3.2485	3.3289	2.2016	1.0827	2.1909	4.4662	4.1762	2.4339	2.8015		1.7525	2.4090	2.7545
H11	2.8089	2.9134	2.1589	1.0847	2.1571	3.9800	3.7160	3.0353	2.4062	1.7525		3.0275	2.3702
H12	2.1063	2.9501	2.9364	2.1859	1.0886	4.0250	2.6050	3.0777	3.9727	2.4090	3.0275		1.7565
H13	2.0987	3.2068	3.3290	2.1939	1.0836	4.2925	2.5395	3.9636	4.1173	2.7545	2.3702	1.7565

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	107.083	N1	C2	O6	125.988
N1	C5	C4	102.187	N1	C5	H12	111.564
N1	C5	H13	111.255	C2	N1	C5	114.733
C2	N1	H7	119.596	C2	C3	C4	104.238
C2	C3	H8	107.482	C2	C3	H9	110.575
C3	C2	O6	126.924	C3	C4	C5	103.711
C3	C4	H10	113.532	C3	C4	H11	109.948
C4	C3	H8	112.086	C4	C3	H9	114.567
C4	C5	H12	111.483	C4	C5	H13	112.433
C5	N1	H7	123.694	C5	C4	H10	112.241
C5	C4	H11	109.425	H8	C3	H9	107.682
H10	C4	H11	107.915	H12	C5	H13	107.924

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

using model chemistry: HF/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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Number	Element	Mulliken	CHELPG
1	N	-0.712	-0.797
2	C	0.751	0.461
3	C	-0.334	-0.718
4	C	-0.262	0.361
5	C	0.004	0.027
6	O	-0.607	0.777
7	H	0.311	-0.088
8	H	0.156	-0.078
9	H	0.163	0.021
10	H	0.134	0.018
11	H	0.141	-0.011
12	H	0.122	-0.024
13	H	0.133	0.051

	x	y	z	Total
	-4.239	-0.487	0.415	4.287
CHELPG
AIM
ESP

	x	y	z
x	8.401	-0.132	0.409
y	-0.132	6.537	0.086
z	0.409	0.086	5.413

<r²>	142.184
(<r²>)^1/2	11.924

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

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

States and conformations

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