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	hartrees
Energy at 0K	-286.170369
Energy at 298.15K
HF Energy	-284.982326
Nuclear repulsion energy	241.441752

Atom	x (Å)	y (Å)	z (Å)
N1	0.075	-1.088	-0.087
C2	0.894	0.001	-0.008
C3	-0.010	1.205	0.159
C4	-1.389	0.685	-0.220
C5	-1.318	-0.795	0.154
O6	2.107	-0.012	-0.046
H7	0.470	-2.010	-0.030
H8	0.036	1.498	1.206
H9	0.344	2.035	-0.438
H10	-2.205	1.197	0.274
H11	-1.528	0.769	-1.292
H12	-1.589	-0.948	1.199
H13	-1.966	-1.408	-0.462

	N1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.3641	2.3074	2.3032	1.4442	2.2993	1.0042	2.8912	3.1539	3.2482	2.7340	2.1072	2.0998
C2	1.3641		1.5152	2.3924	2.3562	1.2136	2.0546	2.1099	2.1509	3.3339	2.8474	2.9184	3.2199
C3	2.3074	1.5152		1.5208	2.3893	2.4504	3.2557	1.0879	1.0818	2.1979	2.1447	2.8645	3.3222
C4	2.3032	2.3924	1.5208		1.5280	3.5685	3.2790	2.1727	2.2068	1.0828	1.0852	2.1721	2.1850
C5	1.4442	2.3562	2.3893	1.5280		3.5191	2.1694	2.8630	3.3344	2.1835	2.1406	1.0900	1.0839
O6	2.2993	1.2136	2.4504	3.5685	3.5191		2.5832	2.8522	2.7298	4.4896	3.9215	4.0100	4.3253
H7	1.0042	2.0546	3.2557	3.2790	2.1694	2.5832		3.7445	4.0671	4.1868	3.6480	2.6217	2.5454
H8	2.8912	2.1099	1.0879	2.1727	2.8630	2.8522	3.7445		1.7559	2.4453	3.0359	2.9362	3.9030
H9	3.1539	2.1509	1.0818	2.2068	3.3344	2.7298	4.0671	1.7559		2.7759	2.4157	3.9125	4.1458
H10	3.2482	3.3339	2.1979	1.0828	2.1835	4.4896	4.1868	2.4453	2.7759		1.7595	2.4153	2.7177
H11	2.7340	2.8474	2.1447	1.0852	2.1406	3.9215	3.6480	3.0359	2.4157	1.7595		3.0262	2.3712
H12	2.1072	2.9184	2.8645	2.1721	1.0900	4.0100	2.6217	2.9362	3.9125	2.4153	3.0262		1.7641
H13	2.0998	3.2199	3.3222	2.1850	1.0839	4.3253	2.5454	3.9030	4.1458	2.7177	2.3712	1.7641

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	106.407	N1	C2	O6	126.147
N1	C5	C4	101.559	N1	C5	H12	111.742
N1	C5	H13	111.525	C2	N1	C5	114.044
C2	N1	H7	119.580	C2	C3	C4	103.997
C2	C3	H8	107.153	C2	C3	H9	110.726
C3	C2	O6	127.438	C3	C4	C5	103.202
C3	C4	H10	114.112	C3	C4	H11	109.638
C4	C3	H8	111.711	C4	C3	H9	114.926
C4	C5	H12	111.026	C4	C5	H13	112.446
C5	N1	H7	123.763	C5	C4	H10	112.392
C5	C4	H11	108.821	H8	C3	H9	108.049
H10	C4	H11	108.501	H12	C5	H13	108.483

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

using model chemistry: MP2=FULL/cc-pVTZ

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: MP2=FULL/cc-pVTZ

States and conformations

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