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	hartrees
Energy at 0K	-285.814618
Energy at 298.15K
HF Energy	-284.891813
Nuclear repulsion energy	240.066517

Atom	x (Å)	y (Å)	z (Å)
N1	0.081	-1.095	-0.080
C2	0.904	-0.002	-0.009
C3	-0.004	1.218	0.144
C4	-1.406	0.694	-0.195
C5	-1.328	-0.809	0.138
O6	2.118	-0.014	-0.040
H7	0.474	-2.017	-0.022
H8	0.067	1.556	1.178
H9	0.339	2.027	-0.494
H10	-2.200	1.193	0.355
H11	-1.603	0.818	-1.259
H12	-1.628	-1.002	1.172
H13	-1.960	-1.410	-0.514

	N1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.3701	2.3245	2.3286	1.4537	2.3070	1.0042	2.9342	3.1598	3.2590	2.8076	2.1198	2.1102
C2	1.3701		1.5284	2.4202	2.3784	1.2143	2.0601	2.1311	2.1616	3.3464	2.9189	2.9679	3.2315
C3	2.3245	1.5284		1.5347	2.4209	2.4603	3.2736	1.0911	1.0864	2.2067	2.1642	2.9366	3.3412
C4	2.3286	2.4202	1.5347		1.5414	3.5980	3.3034	2.1907	2.2167	1.0872	1.0891	2.1902	2.1988
C5	1.4537	2.3784	2.4209	1.5414		3.5414	2.1753	2.9362	3.3503	2.1940	2.1622	1.0940	1.0890
O6	2.3070	1.2143	2.4603	3.5980	3.5414		2.5915	2.8566	2.7451	4.5012	4.0028	4.0595	4.3368
H7	1.0042	2.0601	3.2736	3.3034	2.1753	2.5915		3.7913	4.0736	4.1944	3.7253	2.6215	2.5566
H8	2.9342	2.1311	1.0911	2.1907	2.9362	2.8566	3.7913		1.7592	2.4389	3.0451	3.0687	3.9711
H9	3.1598	2.1616	1.0864	2.2167	3.3503	2.7451	4.0736	1.7592		2.8049	2.4121	3.9782	4.1354
H10	3.2590	3.3464	2.2067	1.0872	2.1940	4.5012	4.1944	2.4389	2.8049		1.7615	2.4112	2.7541
H11	2.8076	2.9189	2.1642	1.0891	2.1622	4.0028	3.7253	3.0451	2.4121	1.7615		3.0376	2.3762
H12	2.1198	2.9679	2.9366	2.1902	1.0940	4.0595	2.6215	3.0687	3.9782	2.4112	3.0376		1.7665
H13	2.1102	3.2315	3.3412	2.1988	1.0890	4.3368	2.5566	3.9711	4.1354	2.7541	2.3762	1.7665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	106.506	N1	C2	O6	126.314
N1	C5	C4	102.018	N1	C5	H12	111.845
N1	C5	H13	111.374	C2	N1	C5	114.732
C2	N1	H7	119.576	C2	C3	C4	104.392
C2	C3	H8	107.717	C2	C3	H9	110.376
C3	C2	O6	127.169	C3	C4	C5	103.810
C3	C4	H10	113.529	C3	C4	H11	109.978
C4	C3	H8	111.971	C4	C3	H9	114.411
C4	C5	H12	111.286	C4	C5	H13	112.276
C5	N1	H7	123.476	C5	C4	H10	112.004
C5	C4	H11	109.358	H8	C3	H9	107.779
H10	C4	H11	108.083	H12	C5	H13	108.038

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

using model chemistry: MP3/6-31+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: MP3/6-31+G**

States and conformations

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