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	hartrees
Energy at 0K	-285.380304
Energy at 298.15K	-285.389756
HF Energy	-284.745878
Nuclear repulsion energy	235.736889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3653	3520	32.22
2	A	3108	2995	21.80
3	A	3092	2979	22.07
4	A	3062	2951	35.06
5	A	3039	2929	13.04
6	A	3037	2927	17.50
7	A	3002	2893	55.86
8	A	1709	1646	357.52
9	A	1585	1527	6.38
10	A	1553	1497	4.99
11	A	1537	1481	3.96
12	A	1470	1417	20.54
13	A	1404	1353	7.67
14	A	1370	1320	1.90
15	A	1343	1295	1.31
16	A	1306	1258	139.44
17	A	1263	1217	18.59
18	A	1241	1196	0.34
19	A	1211	1167	5.22
20	A	1130	1089	0.96
21	A	1082	1043	14.34
22	A	1011	974	15.67
23	A	939	905	2.84
24	A	920	886	4.20
25	A	890	857	2.88
26	A	827	797	2.88
27	A	697	671	3.10
28	A	644	620	51.12
29	A	596	574	116.18
30	A	508	490	40.07
31	A	460	443	11.15
32	A	187	181	1.93
33	A	139	134	0.97

Atom	x (Å)	y (Å)	z (Å)
N1	0.082	-1.112	-0.031
C2	0.908	-0.004	0.001
C3	0.006	1.237	0.142
C4	-1.427	0.714	-0.182
C5	-1.362	-0.826	0.107
O6	2.165	-0.020	-0.056
H7	0.470	-2.046	-0.059
H8	0.084	1.616	1.175
H9	0.348	2.033	-0.535
H10	-2.209	1.208	0.415
H11	-1.658	0.880	-1.247
H12	-1.724	-1.063	1.124
H13	-1.954	-1.409	-0.616

	N1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.3826	2.3564	2.3743	1.4793	2.3517	1.0117	2.9831	3.1961	3.2908	2.9115	2.1448	2.1391
C2	1.3826		1.5408	2.4504	2.4173	1.2578	2.0894	2.1642	2.1793	3.3699	2.9873	3.0519	3.2475
C3	2.3564	1.5408		1.5590	2.4749	2.5062	3.3215	1.1039	1.0993	2.2313	2.1958	3.0404	3.3781
C4	2.3743	2.4504	1.5590		1.5681	3.6685	3.3519	2.2226	2.2390	1.1003	1.1023	2.2252	2.2302
C5	1.4793	2.4173	2.4749	1.5681		3.6217	2.2082	3.0324	3.3922	2.2238	2.1981	1.1051	1.1013
O6	2.3517	1.2578	2.5062	3.6685	3.6217		2.6412	2.9194	2.7830	4.5670	4.1037	4.1959	4.3823
H7	1.0117	2.0894	3.3215	3.3519	2.2082	2.6412		3.8840	4.1082	4.2414	3.8083	2.6805	2.5674
H8	2.9831	2.1642	1.1039	2.2226	3.0324	2.9194	3.8840		1.7797	2.4500	3.0729	3.2325	4.0636
H9	3.1961	2.1793	1.0993	2.2390	3.3922	2.7830	4.1082	1.7797		2.8494	2.4201	4.0775	4.1410
H10	3.2908	3.3699	2.2313	1.1003	2.2238	4.5670	4.2414	2.4500	2.8494		1.7815	2.4272	2.8240
H11	2.9115	2.9873	2.1958	1.1023	2.1981	4.1037	3.8083	3.0729	2.4201	1.7815		3.0663	2.3932
H12	2.1448	3.0519	3.0404	2.2252	1.1051	4.1959	2.6805	3.2325	4.0775	2.4272	3.0663		1.7890
H13	2.1391	3.2475	3.3781	2.2302	1.1013	4.3823	2.5674	4.0636	4.1410	2.8240	2.3932	1.7890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	107.296	N1	C2	O6	125.840
N1	C5	C4	102.322	N1	C5	H12	111.354
N1	C5	H13	111.127	C2	N1	C5	115.222
C2	N1	H7	120.752	C2	C3	C4	104.465
C2	C3	H8	108.708	C2	C3	H9	110.144
C3	C2	O6	126.856	C3	C4	C5	104.640
C3	C4	H10	112.946	C3	C4	H11	110.013
C4	C3	H8	112.028	C4	C3	H9	113.636
C4	C5	H12	111.514	C4	C5	H13	112.143
C5	N1	H7	123.785	C5	C4	H10	111.688
C5	C4	H11	109.563	H8	C3	H9	107.760
H10	C4	H11	107.955	H12	C5	H13	108.349

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)