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	hartrees
Energy at 0K	-286.326780
Energy at 298.15K
HF Energy	-286.037432
Nuclear repulsion energy	239.384734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3649	3462	31.51
2	A	3172	3010	19.99
3	A	3161	2999	16.74
4	A	3129	2968	40.78
5	A	3109	2949	16.02
6	A	3096	2937	12.27
7	A	3050	2893	63.96
8	A	1833	1739	391.66
9	A	1582	1501	3.75
10	A	1547	1468	5.40
11	A	1519	1441	3.84
12	A	1473	1398	38.57
13	A	1397	1325	8.23
14	A	1371	1301	17.25
15	A	1338	1269	27.28
16	A	1292	1226	73.37
17	A	1270	1205	18.56
18	A	1236	1173	1.27
19	A	1211	1149	4.49
20	A	1118	1060	0.26
21	A	1098	1042	15.44
22	A	1022	970	11.54
23	A	940	892	0.78
24	A	928	881	1.82
25	A	906	860	3.93
26	A	831	788	5.41
27	A	700	664	9.84
28	A	641	608	22.43
29	A	570	541	49.17
30	A	499	473	69.97
31	A	466	443	10.33
32	A	201	191	5.30
33	A	143	136	1.48

Atom	x (Å)	y (Å)	z (Å)
N1	0.080	-1.095	-0.079
C2	0.908	-0.001	-0.010
C3	-0.006	1.220	0.141
C4	-1.411	0.695	-0.192
C5	-1.330	-0.812	0.136
O6	2.126	-0.014	-0.039
H7	0.476	-2.023	-0.023
H8	0.067	1.567	1.178
H9	0.335	2.032	-0.502
H10	-2.207	1.192	0.364
H11	-1.614	0.823	-1.258
H12	-1.631	-1.012	1.173
H13	-1.963	-1.415	-0.521

	N1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.3733	2.3265	2.3318	1.4545	2.3144	1.0106	2.9433	3.1658	3.2648	2.8176	2.1219	2.1146
C2	1.3733		1.5321	2.4274	2.3848	1.2187	2.0676	2.1390	2.1690	3.3568	2.9320	2.9778	3.2405
C3	2.3265	1.5321		1.5364	2.4250	2.4693	3.2823	1.0957	1.0909	2.2132	2.1686	2.9475	3.3482
C4	2.3318	2.4274	1.5364		1.5437	3.6101	3.3126	2.1957	2.2211	1.0916	1.0932	2.1968	2.2054
C5	1.4545	2.3848	2.4250	1.5437		3.5516	2.1806	2.9487	3.3569	2.1991	2.1673	1.0984	1.0934
O6	2.3144	1.2187	2.4693	3.6101	3.5516		2.6003	2.8667	2.7580	4.5161	4.0216	4.0721	4.3491
H7	1.0106	2.0676	3.2823	3.3126	2.1806	2.6003		3.8072	4.0860	4.2055	3.7409	2.6249	2.5621
H8	2.9433	2.1390	1.0957	2.1957	2.9487	2.8667	3.8072		1.7635	2.4445	3.0520	3.0877	3.9871
H9	3.1658	2.1690	1.0909	2.2211	3.3569	2.7580	4.0860	1.7635		2.8144	2.4154	3.9925	4.1432
H10	3.2648	3.3568	2.2132	1.0916	2.1991	4.5161	4.2055	2.4445	2.8144		1.7668	2.4178	2.7641
H11	2.8176	2.9320	2.1686	1.0932	2.1673	4.0216	3.7409	3.0520	2.4154	1.7668		3.0466	2.3823
H12	2.1219	2.9778	2.9475	2.1968	1.0984	4.0721	2.6249	3.0877	3.9925	2.4178	3.0466		1.7725
H13	2.1146	3.2405	3.3482	2.2054	1.0934	4.3491	2.5621	3.9871	4.1432	2.7641	2.3823	1.7725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	106.271	N1	C2	O6	126.376
N1	C5	C4	102.067	N1	C5	H12	111.676
N1	C5	H13	111.393	C2	N1	C5	114.955
C2	N1	H7	119.521	C2	C3	C4	104.570
C2	C3	H8	107.823	C2	C3	H9	110.433
C3	C2	O6	127.341	C3	C4	C5	103.870
C3	C4	H10	113.653	C3	C4	H11	109.966
C4	C3	H8	111.975	C4	C3	H9	114.362
C4	C5	H12	111.385	C4	C5	H13	112.386
C5	N1	H7	123.383	C5	C4	H10	111.984
C5	C4	H11	109.364	H8	C3	H9	107.513
H10	C4	H11	107.931	H12	C5	H13	107.939

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-31G*

States and conformations

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