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	hartrees
Energy at 0K	-305.827638
Energy at 298.15K
HF Energy	-304.771034
Nuclear repulsion energy	241.674187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3189	3189	11.63
2	A	3181	3181	24.13
3	A	3170	3170	12.95
4	A	3112	3112	19.36
5	A	3103	3103	6.01
6	A	3095	3095	39.56
7	A	1959	1959	412.08
8	A	1574	1574	0.99
9	A	1544	1544	9.39
10	A	1512	1512	11.39
11	A	1443	1443	23.01
12	A	1380	1380	2.11
13	A	1346	1346	20.44
14	A	1300	1300	18.48
15	A	1257	1257	47.84
16	A	1234	1234	29.55
17	A	1230	1230	166.75
18	A	1136	1136	58.11
19	A	1123	1123	24.97
20	A	1037	1037	13.19
21	A	968	968	3.38
22	A	923	923	10.96
23	A	906	906	12.95
24	A	835	835	5.35
25	A	703	703	6.14
26	A	653	653	4.07
27	A	544	544	3.32
28	A	506	506	4.67
29	A	227	227	3.07
30	A	152	152	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.882	-0.005	0.004
C2	-0.029	1.202	0.181
C3	-1.395	0.662	-0.240
C4	-1.255	-0.814	0.143
O5	0.127	-1.129	-0.053
O6	2.068	-0.024	-0.075
H7	0.345	2.044	-0.400
H8	-0.011	1.486	1.239
H9	-1.525	0.758	-1.321
H10	-2.239	1.145	0.255
H11	-1.839	-1.494	-0.478
H12	-1.508	-0.984	1.195

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5225	2.3847	2.2890	1.3548	1.1891	2.1561	2.1312	2.8513	3.3351	3.1383	2.8432
C2	1.5225		1.5273	2.3599	2.3479	2.4429	1.0895	1.0955	2.1653	2.2115	3.3127	2.8267
C3	2.3847	1.5273		1.5315	2.3580	3.5340	2.2279	2.1862	1.0934	1.0911	2.2139	2.1861
C4	2.2890	2.3599	1.5315		1.4313	3.4225	3.3205	2.8353	2.1652	2.1951	1.0897	1.0952
O5	1.3548	2.3479	2.3580	1.4313		2.2330	3.1992	2.9196	2.8105	3.2962	2.0444	2.0620
O6	1.1891	2.4429	3.5340	3.4225	2.2330		2.7111	2.8854	3.8825	4.4749	4.1934	3.9136
H7	2.1561	1.0895	2.2279	3.3205	3.1992	2.7111		1.7678	2.4493	2.8137	4.1583	3.8916
H8	2.1312	1.0955	2.1862	2.8353	2.9196	2.8854	1.7678		3.0617	2.4593	3.8941	2.8878
H9	2.8513	2.1653	1.0934	2.1652	2.8105	3.8825	2.4493	3.0617		1.7732	2.4250	3.0601
H10	3.3351	2.2115	1.0911	2.1951	3.2962	4.4749	2.8137	2.4593	1.7732		2.7675	2.4389
H11	3.1383	3.3127	2.2139	1.0897	2.0444	4.1934	4.1583	3.8941	2.4250	2.7675		1.7798
H12	2.8432	2.8267	2.1861	1.0952	2.0620	3.9136	3.8916	2.8878	3.0601	2.4389	1.7798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.873	C1	C2	H7	110.173
C1	C2	H8	107.880	C1	O5	C4	110.454
C2	C1	O5	109.241	C2	C1	O6	128.136
C2	C3	C4	100.979	C2	C3	H9	110.337
C2	C3	H10	114.228	C3	C2	H7	115.719
C3	C2	H8	111.875	C3	C4	O5	105.422
C3	C4	H11	114.203	C3	C4	H12	111.589
C4	C3	H9	110.029	C4	C3	H10	112.570
O5	C1	O6	122.623	O5	C4	H11	107.602
O5	C4	H12	108.671	H7	C2	H8	108.012
H9	C3	H10	108.527	H11	C4	H12	109.095

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

using model chemistry: MP3=FULL/6-311G*

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/6-311G*

States and conformations

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