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	hartrees
Energy at 0K	-285.828939
Energy at 298.15K
HF Energy	-284.890883
Nuclear repulsion energy	239.561095

Atom	x (Å)	y (Å)	z (Å)
N1	0.080	-1.096	-0.095
C2	0.902	0.002	-0.009
C3	-0.010	1.218	0.148
C4	-1.406	0.689	-0.206
C5	-1.326	-0.807	0.150
O6	2.123	-0.012	-0.038
H7	0.479	-2.016	-0.013
H8	0.048	1.542	1.191
H9	0.335	2.039	-0.476
H10	-2.212	1.196	0.323
H11	-1.582	0.794	-1.277
H12	-1.601	-0.982	1.197
H13	-1.971	-1.422	-0.478

	N1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.3741	2.3281	2.3247	1.4557	2.3140	1.0063	2.9344	3.1686	3.2676	2.7806	2.1226	2.1118
C2	1.3741		1.5283	2.4157	2.3755	1.2219	2.0614	2.1306	2.1658	3.3516	2.8994	2.9472	3.2408
C3	2.3281	1.5283		1.5337	2.4151	2.4698	3.2744	1.0932	1.0882	2.2091	2.1639	2.9103	3.3477
C4	2.3247	2.4157	1.5337		1.5402	3.6018	3.3023	2.1890	2.2197	1.0892	1.0912	2.1905	2.2025
C5	1.4557	2.3755	2.4151	1.5402		3.5449	2.1783	2.9138	3.3549	2.1970	2.1606	1.0961	1.0904
O6	2.3140	1.2219	2.4698	3.6018	3.5449		2.5923	2.8690	2.7562	4.5152	3.9893	4.0420	4.3530
H7	1.0063	2.0614	3.2744	3.3023	2.1783	2.5923		3.7803	4.0841	4.2034	3.7072	2.6187	2.5639
H8	2.9344	2.1306	1.0932	2.1890	2.9138	2.8690	3.7803		1.7630	2.4464	3.0511	3.0152	3.9558
H9	3.1686	2.1658	1.0882	2.2197	3.3549	2.7562	4.0841	1.7630		2.8001	2.4226	3.9595	4.1596
H10	3.2676	3.3516	2.2091	1.0892	2.1970	4.5152	4.2034	2.4464	2.8001		1.7658	2.4250	2.7478
H11	2.7806	2.8994	2.1639	1.0912	2.1606	3.9893	3.7072	3.0511	2.4226	1.7658		3.0458	2.3879
H12	2.1226	2.9472	2.9103	2.1905	1.0961	4.0420	2.6187	3.0152	3.9595	2.4250	3.0458		1.7707
H13	2.1118	3.2408	3.3477	2.2025	1.0904	4.3530	2.5639	3.9558	4.1596	2.7478	2.3879	1.7707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	106.553	N1	C2	O6	125.992
N1	C5	C4	101.746	N1	C5	H12	111.800
N1	C5	H13	111.273	C2	N1	C5	114.142
C2	N1	H7	119.188	C2	C3	C4	104.175
C2	C3	H8	107.572	C2	C3	H9	110.618
C3	C2	O6	127.450	C3	C4	C5	103.567
C3	C4	H10	113.678	C3	C4	H11	109.913
C4	C3	H8	111.785	C4	C3	H9	114.632
C4	C5	H12	111.266	C4	C5	H13	112.578
C5	N1	H7	123.416	C5	C4	H10	112.207
C5	C4	H11	109.205	H8	C3	H9	107.843
H10	C4	H11	108.169	H12	C5	H13	108.156

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)