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	hartrees
Energy at 0K	-285.845939
Energy at 298.15K
HF Energy	-284.898119
Nuclear repulsion energy	239.323100

Atom	x (Å)	y (Å)	z (Å)
N1	0.081	-1.098	-0.099
C2	0.899	0.001	-0.009
C3	-0.009	1.219	0.144
C4	-1.408	0.690	-0.201
C5	-1.328	-0.808	0.151
O6	2.125	-0.011	-0.035
H7	0.481	-2.019	-0.011
H8	0.058	1.551	1.184
H9	0.336	2.034	-0.490
H10	-2.210	1.196	0.338
H11	-1.595	0.800	-1.271
H12	-1.595	-0.986	1.198
H13	-1.972	-1.423	-0.479

	N1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.3731	2.3317	2.3295	1.4597	2.3163	1.0079	2.9431	3.1671	3.2708	2.7905	2.1222	2.1125
C2	1.3731		1.5267	2.4155	2.3744	1.2268	2.0628	2.1289	2.1635	3.3481	2.9070	2.9419	3.2384
C3	2.3317	1.5267		1.5356	2.4185	2.4698	3.2787	1.0938	1.0887	2.2095	2.1671	2.9144	3.3497
C4	2.3295	2.4155	1.5356		1.5409	3.6064	3.3086	2.1932	2.2213	1.0898	1.0919	2.1919	2.2043
C5	1.4597	2.3744	2.4185	1.5409		3.5487	2.1831	2.9244	3.3552	2.1970	2.1627	1.0960	1.0903
O6	2.3163	1.2268	2.4698	3.6064	3.5487		2.5952	2.8633	2.7551	4.5152	4.0035	4.0393	4.3559
H7	1.0079	2.0628	3.2787	3.3086	2.1831	2.5952		3.7881	4.0840	4.2068	3.7209	2.6156	2.5673
H8	2.9431	2.1289	1.0938	2.1932	2.9244	2.8633	3.7881		1.7646	2.4465	3.0541	3.0285	3.9657
H9	3.1671	2.1635	1.0887	2.2213	3.3552	2.7551	4.0840	1.7646		2.8053	2.4221	3.9631	4.1566
H10	3.2708	3.3481	2.2095	1.0898	2.1970	4.5152	4.2068	2.4465	2.8053		1.7671	2.4249	2.7531
H11	2.7905	2.9070	2.1671	1.0919	2.1627	4.0035	3.7209	3.0541	2.4221	1.7671		3.0478	2.3892
H12	2.1222	2.9419	2.9144	2.1919	1.0960	4.0393	2.6156	3.0285	3.9631	2.4249	3.0478		1.7733
H13	2.1125	3.2384	3.3497	2.2043	1.0903	4.3559	2.5673	3.9657	4.1566	2.7531	2.3892	1.7733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	106.927	N1	C2	O6	125.886
N1	C5	C4	101.823	N1	C5	H12	111.484
N1	C5	H13	111.050	C2	N1	C5	113.865
C2	N1	H7	119.284	C2	C3	C4	104.147
C2	C3	H8	107.513	C2	C3	H9	110.511
C3	C2	O6	127.183	C3	C4	C5	103.649
C3	C4	H10	113.529	C3	C4	H11	109.986
C4	C3	H8	111.956	C4	C3	H9	114.583
C4	C5	H12	111.340	C4	C5	H13	112.682
C5	N1	H7	123.391	C5	C4	H10	112.125
C5	C4	H11	109.274	H8	C3	H9	107.907
H10	C4	H11	108.186	H12	C5	H13	108.411

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

using model chemistry: QCISD/6-31+G**

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/6-31+G**

States and conformations

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