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	hartrees
Energy at 0K	-285.850227
Energy at 298.15K	-285.859684
HF Energy	-284.917018
Nuclear repulsion energy	238.535803

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3631	3482	40.35
2	A	3172	3042	14.85
3	A	3161	3032	14.22
4	A	3135	3007	25.53
5	A	3095	2968	19.33
6	A	3083	2956	9.94
7	A	3046	2921	59.76
8	A	1768	1695	458.45
9	A	1527	1465	3.36
10	A	1487	1426	8.65
11	A	1459	1399	3.32
12	A	1436	1377	44.57
13	A	1354	1298	9.13
14	A	1331	1277	18.78
15	A	1299	1246	51.78
16	A	1257	1205	44.28
17	A	1243	1192	13.14
18	A	1200	1151	1.57
19	A	1179	1131	4.77
20	A	1086	1041	8.47
21	A	1082	1038	6.99
22	A	1005	964	11.48
23	A	936	898	0.62
24	A	908	870	3.38
25	A	897	861	4.76
26	A	820	787	3.38
27	A	688	659	9.44
28	A	628	602	13.07
29	A	552	529	44.05
30	A	494	474	65.81
31	A	463	444	8.62
32	A	215	206	5.45
33	A	145	139	1.57

Atom	x (Å)	y (Å)	z (Å)
N1	0.078	-1.100	-0.103
C2	0.902	0.003	-0.009
C3	-0.012	1.220	0.153
C4	-1.410	0.690	-0.215
C5	-1.330	-0.806	0.160
O6	2.132	-0.011	-0.038
H7	0.483	-2.027	-0.017
H8	0.041	1.532	1.210
H9	0.342	2.055	-0.467
H10	-2.231	1.204	0.304
H11	-1.569	0.781	-1.301
H12	-1.587	-0.966	1.223
H13	-1.987	-1.435	-0.458

	N1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.3802	2.3364	2.3306	1.4621	2.3259	1.0147	2.9413	3.1868	3.2875	2.7731	2.1325	2.1226
C2	1.3802		1.5313	2.4207	2.3802	1.2302	2.0729	2.1365	2.1754	3.3699	2.8954	2.9414	3.2587
C3	2.3364	1.5313		1.5392	2.4172	2.4800	3.2893	1.1037	1.0981	2.2234	2.1750	2.8990	3.3652
C4	2.3306	2.4207	1.5392		1.5446	3.6147	3.3169	2.2013	2.2348	1.0992	1.1011	2.2007	2.2155
C5	1.4621	2.3802	2.4172	1.5446		3.5576	2.1923	2.9066	3.3723	2.2078	2.1703	1.1057	1.0999
O6	2.3259	1.2302	2.4800	3.6147	3.5576		2.6053	2.8822	2.7663	4.5416	3.9904	4.0413	4.3790
H7	1.0147	2.0729	3.2893	3.3169	2.1923	2.6053		3.7900	4.1087	4.2315	3.7073	2.6354	2.5780
H8	2.9413	2.1365	1.1037	2.2013	2.9066	2.8822	3.7900		1.7827	2.4678	3.0764	2.9812	3.9622
H9	3.1868	2.1754	1.0981	2.2348	3.3723	2.7663	4.1087	1.7827		2.8174	2.4437	3.9625	4.1957
H10	3.2875	3.3699	2.2234	1.0992	2.2078	4.5416	4.2315	2.4678	2.8174		1.7868	2.4433	2.7579
H11	2.7731	2.8954	2.1750	1.1011	2.1703	3.9904	3.7073	3.0764	2.4437	1.7868		3.0698	2.4072
H12	2.1325	2.9414	2.8990	2.2007	1.1057	4.0413	2.6354	2.9812	3.9625	2.4433	3.0698		1.7912
H13	2.1226	3.2587	3.3652	2.2155	1.0999	4.3790	2.5780	3.9622	4.1957	2.7579	2.4072	1.7912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	106.622	N1	C2	O6	125.907
N1	C5	C4	101.599	N1	C5	H12	111.538
N1	C5	H13	111.102	C2	N1	C5	113.706
C2	N1	H7	119.111	C2	C3	C4	104.064
C2	C3	H8	107.232	C2	C3	H9	110.568
C3	C2	O6	127.467	C3	C4	C5	103.226
C3	C4	H10	113.815	C3	C4	H11	109.817
C4	C3	H8	111.741	C4	C3	H9	114.834
C4	C5	H12	111.192	C4	C5	H13	112.727
C5	N1	H7	123.520	C5	C4	H10	112.153
C5	C4	H11	109.080	H8	C3	H9	108.128
H10	C4	H11	108.600	H12	C5	H13	108.607

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

using model chemistry: MP2/aug-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: MP2/aug-cc-pVDZ

States and conformations

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