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	hartrees
Energy at 0K	-305.670662
Energy at 298.15K
HF Energy	-304.725051
Nuclear repulsion energy	240.691219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3207	3015	7.37
2	A	3192	3002	23.44
3	A	3184	2994	16.69
4	A	3123	2937	17.07
5	A	3117	2930	6.67
6	A	3097	2912	44.15
7	A	1965	1847	395.38
8	A	1537	1445	0.88
9	A	1503	1413	8.09
10	A	1470	1382	9.41
11	A	1427	1342	34.76
12	A	1363	1282	8.56
13	A	1329	1249	28.65
14	A	1279	1202	15.03
15	A	1239	1165	71.69
16	A	1218	1145	134.29
17	A	1212	1140	4.04
18	A	1127	1060	77.30
19	A	1106	1040	5.31
20	A	1025	964	10.66
21	A	963	905	3.07
22	A	914	859	14.36
23	A	896	843	10.24
24	A	830	780	4.57
25	A	699	658	5.61
26	A	646	607	3.43
27	A	538	506	3.14
28	A	503	473	4.54
29	A	229	215	2.54
30	A	154	144	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.884	-0.003	0.006
C2	-0.031	1.206	0.188
C3	-1.397	0.664	-0.247
C4	-1.258	-0.816	0.143
O5	0.127	-1.134	-0.049
O6	2.076	-0.025	-0.080
H7	0.348	2.063	-0.384
H8	-0.022	1.475	1.258
H9	-1.512	0.755	-1.340
H10	-2.255	1.151	0.237
H11	-1.852	-1.499	-0.478
H12	-1.521	-0.979	1.203

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5281	2.3899	2.2951	1.3620	1.1947	2.1703	2.1396	2.8507	3.3523	3.1561	2.8581
C2	1.5281		1.5323	2.3658	2.3578	2.4550	1.0974	1.1038	2.1750	2.2247	3.3290	2.8328
C3	2.3899	1.5323		1.5370	2.3651	3.5440	2.2402	2.1942	1.1021	1.0990	2.2229	2.1951
C4	2.2951	2.3658	1.5370		1.4335	3.4333	3.3383	2.8322	2.1748	2.2069	1.0983	1.1044
O5	1.3620	2.3578	2.3651	1.4335		2.2426	3.2222	2.9223	2.8142	3.3126	2.0580	2.0750
O6	1.1947	2.4550	3.5440	3.4333	2.2426		2.7274	2.9056	3.8816	4.4983	4.2146	3.9356
H7	2.1703	1.0974	2.2402	3.3383	3.2222	2.7274		1.7832	2.4665	2.8268	4.1881	3.9067
H8	2.1396	1.1038	2.1942	2.8322	2.9223	2.9056	1.7832		3.0804	2.4763	3.9005	2.8759
H9	2.8507	2.1750	1.1021	2.1748	2.8142	3.8816	2.4665	3.0804		1.7875	2.4369	3.0776
H10	3.3523	2.2247	1.0990	2.2069	3.3126	4.4983	2.8268	2.4763	1.7875		2.7741	2.4507
H11	3.1561	3.3290	2.2229	1.0983	2.0580	4.2146	4.1881	3.9005	2.4369	2.7741		1.7911
H12	2.8581	2.8328	2.1951	1.1044	2.0750	3.9356	3.9067	2.8759	3.0776	2.4507	1.7911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.689	C1	C2	H7	110.430
C1	C2	H8	107.674	C1	O5	C4	110.340
C2	C1	O5	109.203	C2	C1	O6	128.331
C2	C3	C4	100.851	C2	C3	H9	110.226
C2	C3	H10	114.441	C3	C2	H7	115.843
C3	C2	H8	111.651	C3	C4	O5	105.483
C3	C4	H11	113.991	C3	C4	H12	111.360
C4	C3	H9	109.895	C4	C3	H10	112.633
O5	C1	O6	122.466	O5	C4	H11	108.018
O5	C4	H12	108.998	H7	C2	H8	108.210
H9	C3	H10	108.598	H11	C4	H12	108.804

All results from a given calculation for C₄H₆O₂ (γ–Butyrolactone)

using model chemistry: MP3=FULL/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 C4H6O2 (γ–Butyrolactone)

using model chemistry: MP3=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₆O₂ (γ–Butyrolactone)