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	hartrees
Energy at 0K	-285.840525
Energy at 298.15K
HF Energy	-284.899783
Nuclear repulsion energy	238.739236

Atom	x (Å)	y (Å)	z (Å)
N1	0.081	-1.099	-0.125
C2	0.906	0.004	-0.013
C3	-0.015	1.223	0.146
C4	-1.413	0.685	-0.210
C5	-1.319	-0.810	0.168
O6	2.124	-0.008	-0.028
H7	0.487	-2.020	0.008
H8	0.043	1.542	1.204
H9	0.332	2.062	-0.478
H10	-2.237	1.200	0.310
H11	-1.581	0.771	-1.299
H12	-1.561	-0.966	1.241
H13	-1.995	-1.443	-0.431

	N1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.3824	2.3405	2.3284	1.4592	2.3177	1.0150	2.9575	3.1908	3.2938	2.7639	2.1398	2.1264
C2	1.3824		1.5362	2.4242	2.3760	1.2179	2.0673	2.1431	2.1860	3.3782	2.9027	2.9325	3.2688
C3	2.3405	1.5362		1.5392	2.4156	2.4744	3.2850	1.1069	1.1013	2.2280	2.1781	2.8954	3.3709
C4	2.3284	2.4242	1.5392		1.5452	3.6082	3.3126	2.2031	2.2386	1.1024	1.1050	2.2033	2.2173
C5	1.4592	2.3760	2.4156	1.5452		3.5400	2.1798	2.9087	3.3752	2.2145	2.1731	1.1104	1.1035
O6	2.3177	1.2179	2.4744	3.6082	3.5400		2.5932	2.8728	2.7747	4.5376	3.9936	4.0127	4.3800
H7	1.0150	2.0673	3.2850	3.3126	2.1798	2.5932		3.7840	4.1136	4.2286	3.7116	2.6124	2.5860
H8	2.9575	2.1431	1.1069	2.2031	2.9087	2.8728	3.7840		1.7843	2.4729	3.0818	2.9777	3.9674
H9	3.1908	2.1860	1.1013	2.2386	3.3752	2.7747	4.1136	1.7843		2.8221	2.4496	3.9634	4.2074
H10	3.2938	3.3782	2.2280	1.1024	2.2145	4.5376	4.2286	2.4729	2.8221		1.7893	2.4531	2.7556
H11	2.7639	2.9027	2.1781	1.1050	2.1731	3.9936	3.7116	3.0818	2.4496	1.7893		3.0773	2.4138
H12	2.1398	2.9325	2.8954	2.2033	1.1104	4.0127	2.6124	2.9777	3.9634	2.4531	3.0773		1.7922
H13	2.1264	3.2688	3.3709	2.2173	1.1035	4.3800	2.5860	3.9674	4.2074	2.7556	2.4138	1.7922

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	106.510	N1	C2	O6	125.960
N1	C5	C4	101.577	N1	C5	H12	112.052
N1	C5	H13	111.398	C2	N1	C5	113.448
C2	N1	H7	118.340	C2	C3	C4	104.047
C2	C3	H8	107.237	C2	C3	H9	110.876
C3	C2	O6	127.527	C3	C4	C5	103.104
C3	C4	H10	113.982	C3	C4	H11	109.826
C4	C3	H8	111.685	C4	C3	H9	114.936
C4	C5	H12	111.081	C4	C5	H13	112.617
C5	N1	H7	122.507	C5	C4	H10	112.448
C5	C4	H11	109.036	H8	C3	H9	107.808
H10	C4	H11	108.302	H12	C5	H13	108.099

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

using model chemistry: QCISD/cc-pVDZ

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/cc-pVDZ

States and conformations

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