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	hartrees
Energy at 0K	-285.834667
Energy at 298.15K
HF Energy	-284.898808
Nuclear repulsion energy	239.687543

Atom	x (Å)	y (Å)	z (Å)
N1	0.082	-1.097	-0.096
C2	0.899	0.001	-0.009
C3	-0.007	1.218	0.144
C4	-1.407	0.690	-0.200
C5	-1.326	-0.807	0.149
O6	2.119	-0.011	-0.036
H7	0.481	-2.017	-0.012
H8	0.061	1.550	1.183
H9	0.338	2.032	-0.490
H10	-2.206	1.195	0.340
H11	-1.595	0.802	-1.269
H12	-1.597	-0.988	1.195
H13	-1.968	-1.420	-0.483

	N1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.3706	2.3291	2.3281	1.4577	2.3095	1.0069	2.9399	3.1641	3.2678	2.7913	2.1205	2.1107
C2	1.3706		1.5252	2.4136	2.3716	1.2212	2.0605	2.1270	2.1617	3.3449	2.9065	2.9415	3.2340
C3	2.3291	1.5252		1.5347	2.4169	2.4628	3.2758	1.0931	1.0880	2.2080	2.1659	2.9153	3.3465
C4	2.3281	2.4136	1.5347		1.5401	3.5988	3.3061	2.1920	2.2202	1.0891	1.0912	2.1906	2.2023
C5	1.4577	2.3716	2.4169	1.5401		3.5407	2.1803	2.9238	3.3528	2.1960	2.1617	1.0953	1.0897
O6	2.3095	1.2212	2.4628	3.5988	3.5407		2.5903	2.8568	2.7483	4.5063	3.9973	4.0347	4.3464
H7	1.0069	2.0605	3.2758	3.3061	2.1803	2.5903		3.7855	4.0802	4.2029	3.7199	2.6139	2.5642
H8	2.9399	2.1270	1.0931	2.1920	2.9238	2.8568	3.7855		1.7632	2.4444	3.0520	3.0313	3.9640
H9	3.1641	2.1617	1.0880	2.2202	3.3528	2.7483	4.0802	1.7632		2.8045	2.4207	3.9630	4.1520
H10	3.2678	3.3449	2.2080	1.0891	2.1960	4.5063	4.2029	2.4444	2.8045		1.7657	2.4223	2.7523
H11	2.7913	2.9065	2.1659	1.0912	2.1617	3.9973	3.7199	3.0520	2.4207	1.7657		3.0452	2.3863
H12	2.1205	2.9415	2.9153	2.1906	1.0953	4.0347	2.6139	3.0313	3.9630	2.4223	3.0452		1.7718
H13	2.1107	3.2340	3.3465	2.2023	1.0897	4.3464	2.5642	3.9640	4.1520	2.7523	2.3863	1.7718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	106.964	N1	C2	O6	125.922
N1	C5	C4	101.866	N1	C5	H12	111.535
N1	C5	H13	111.083	C2	N1	C5	113.933
C2	N1	H7	119.361	C2	C3	C4	104.146
C2	C3	H8	107.506	C2	C3	H9	110.512
C3	C2	O6	127.110	C3	C4	C5	103.637
C3	C4	H10	113.516	C3	C4	H11	110.000
C4	C3	H8	111.963	C4	C3	H9	114.605
C4	C5	H12	111.331	C4	C5	H13	112.617
C5	N1	H7	123.374	C5	C4	H10	112.140
C5	C4	H11	109.290	H8	C3	H9	107.882
H10	C4	H11	108.167	H12	C5	H13	108.365

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

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

States and conformations

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