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	hartrees
Energy at 0K	-284.902862
Energy at 298.15K	-284.912616
Nuclear repulsion energy	241.365722

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3860	3505	50.53
2	A	3281	2979	21.92
3	A	3264	2963	33.43
4	A	3241	2943	51.26
5	A	3207	2912	18.83
6	A	3203	2908	21.28
7	A	3159	2868	76.39
8	A	1993	1810	610.48
9	A	1645	1493	3.90
10	A	1605	1458	28.16
11	A	1583	1437	45.97
12	A	1566	1422	10.78
13	A	1492	1355	15.95
14	A	1461	1327	36.73
15	A	1432	1300	43.23
16	A	1370	1244	72.05
17	A	1342	1218	8.33
18	A	1314	1194	0.49
19	A	1278	1160	6.33
20	A	1182	1073	0.51
21	A	1160	1053	20.58
22	A	1067	969	11.47
23	A	985	894	2.32
24	A	975	886	3.20
25	A	956	868	4.64
26	A	884	802	6.67
27	A	747	678	14.49
28	A	692	629	23.95
29	A	609	553	46.72
30	A	529	480	68.29
31	A	507	460	19.38
32	A	214	194	5.48
33	A	148	134	1.59

Atom	x (Å)	y (Å)	z (Å)
N1	0.089	-1.088	-0.095
C2	0.898	0.000	-0.011
C3	-0.004	1.214	0.139
C4	-1.402	0.687	-0.193
C5	-1.311	-0.809	0.146
O6	2.091	-0.011	-0.035
H7	0.488	-2.001	-0.014
H8	0.074	1.548	1.177
H9	0.340	2.030	-0.494
H10	-2.201	1.188	0.352
H11	-1.599	0.803	-1.260
H12	-1.589	-1.001	1.188
H13	-1.952	-1.420	-0.489

	N1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13
N1		1.3590	2.3165	2.3203	1.4475	2.2749	0.9990	2.9273	3.1537	3.2600	2.7901	2.1140	2.1049
C2	1.3590		1.5195	2.4073	2.3575	1.1938	2.0426	2.1179	2.1599	3.3387	2.9055	2.9366	3.2202
C3	2.3165	1.5195		1.5315	2.4091	2.4330	3.2559	1.0934	1.0881	2.2081	2.1618	2.9194	3.3367
C4	2.3203	2.4073	1.5315		1.5363	3.5662	3.2902	2.1906	2.2203	1.0893	1.0916	2.1886	2.1976
C5	1.4475	2.3575	2.4091	1.5363		3.4993	2.1632	2.9218	3.3457	2.1967	2.1584	1.0956	1.0898
O6	2.2749	1.1938	2.4330	3.5662	3.4993		2.5560	2.8228	2.7284	4.4736	3.9731	4.0025	4.3062
H7	0.9990	2.0426	3.2559	3.2902	2.1632	2.5560		3.7658	4.0619	4.1872	3.7108	2.5989	2.5523
H8	2.9273	2.1179	1.0934	2.1906	2.9218	2.8228	3.7658		1.7602	2.4468	3.0489	3.0434	3.9613
H9	3.1537	2.1599	1.0881	2.2203	3.3457	2.7284	4.0619	1.7602		2.8070	2.4188	3.9670	4.1421
H10	3.2600	3.3387	2.2081	1.0893	2.1967	4.4736	4.1872	2.4468	2.8070		1.7632	2.4225	2.7523
H11	2.7901	2.9055	2.1618	1.0916	2.1584	3.9731	3.7108	3.0489	2.4188	1.7632		3.0411	2.3798
H12	2.1140	2.9366	2.9194	2.1886	1.0956	4.0025	2.5989	3.0434	3.9670	2.4225	3.0411		1.7662
H13	2.1049	3.2202	3.3367	2.1976	1.0898	4.3062	2.5523	3.9613	4.1421	2.7523	2.3798	1.7662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	107.043	N1	C2	O6	125.914
N1	C5	C4	102.049	N1	C5	H12	111.712
N1	C5	H13	111.335	C2	N1	C5	114.253
C2	N1	H7	119.270	C2	C3	C4	104.186
C2	C3	H8	107.171	C2	C3	H9	110.761
C3	C2	O6	127.038	C3	C4	C5	103.496
C3	C4	H10	113.748	C3	C4	H11	109.871
C4	C3	H8	112.056	C4	C3	H9	114.842
C4	C5	H12	111.419	C4	C5	H13	112.506
C5	N1	H7	123.265	C5	C4	H10	112.462
C5	C4	H11	109.278	H8	C3	H9	107.583
H10	C4	H11	107.898	H12	C5	H13	107.832

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

using model chemistry: HF/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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Number	Element	Mulliken	CHELPG
1	N	-0.346	-0.641
2	C	0.332	0.347
3	C	-0.074	-0.621
4	C	-0.073	0.277
5	C	0.149	0.032
6	O	-0.384	0.731
7	H	0.114	-0.083
8	H	0.064	0.053
9	H	0.062	-0.017
10	H	0.037	-0.007
11	H	0.047	-0.041
12	H	0.034	-0.039
13	H	0.040	0.009

	x	y	z	Total
	-4.088	-0.507	0.439	4.143
CHELPG
AIM
ESP

	x	y	z
x	7.987	0.332	-0.046
y	0.332	7.042	0.007
z	-0.046	0.007	5.456

<r²>	143.185
(<r²>)^1/2	11.966

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

using model chemistry: HF/cc-pVDZ

States and conformations

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