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	hartrees
Energy at 0K	-305.773088
Energy at 298.15K
HF Energy	-304.778707
Nuclear repulsion energy	240.980721

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3169	3169	11.26
2	A	3158	3158	27.85
3	A	3147	3147	15.65
4	A	3089	3089	21.51
5	A	3084	3084	5.84
6	A	3072	3072	41.36
7	A	1914	1914	378.53
8	A	1555	1555	0.61
9	A	1523	1523	6.49
10	A	1492	1492	7.83
11	A	1434	1434	19.66
12	A	1375	1375	3.00
13	A	1337	1337	18.38
14	A	1290	1290	14.77
15	A	1243	1243	28.79
16	A	1223	1223	2.57
17	A	1210	1210	197.02
18	A	1119	1119	38.17
19	A	1108	1108	43.76
20	A	1027	1027	12.87
21	A	959	959	3.75
22	A	916	916	11.81
23	A	897	897	15.39
24	A	824	824	5.37
25	A	691	691	5.72
26	A	644	644	3.31
27	A	537	537	3.85
28	A	499	499	4.34
29	A	229	229	2.82
30	A	152	152	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.884	-0.004	0.005
C2	-0.031	1.204	0.186
C3	-1.395	0.664	-0.246
C4	-1.260	-0.813	0.146
O5	0.125	-1.134	-0.054
O6	2.076	-0.024	-0.076
H7	0.344	2.052	-0.390
H8	-0.021	1.475	1.249
H9	-1.510	0.751	-1.332
H10	-2.245	1.150	0.239
H11	-1.851	-1.494	-0.469
H12	-1.509	-0.971	1.203

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5268	2.3884	2.2962	1.3622	1.1946	2.1622	2.1342	2.8444	3.3438	3.1502	2.8455
C2	1.5268		1.5297	2.3629	2.3558	2.4529	1.0912	1.0972	2.1674	2.2156	3.3199	2.8199
C3	2.3884	1.5297		1.5341	2.3620	3.5425	2.2302	2.1872	1.0955	1.0931	2.2164	2.1877
C4	2.2962	2.3629	1.5341		1.4360	3.4353	3.3274	2.8263	2.1670	2.1984	1.0914	1.0971
O5	1.3622	2.3558	2.3620	1.4360		2.2444	3.2110	2.9197	2.8037	3.3047	2.0509	2.0680
O6	1.1946	2.4529	3.5425	3.4353	2.2444		2.7216	2.8980	3.8778	4.4889	4.2110	3.9221
H7	2.1622	1.0912	2.2302	3.3274	3.2110	2.7216		1.7756	2.4533	2.8134	4.1711	3.8872
H8	2.1342	1.0972	2.1872	2.8263	2.9197	2.8980	1.7756		3.0669	2.4649	3.8880	2.8634
H9	2.8444	2.1674	1.0955	2.1670	2.8037	3.8778	2.4533	3.0669		1.7799	2.4292	3.0650
H10	3.3438	2.2156	1.0931	2.1984	3.3047	4.4889	2.8134	2.4649	1.7799		2.7655	2.4436
H11	3.1502	3.3199	2.2164	1.0914	2.0509	4.2110	4.1711	3.8880	2.4292	2.7655		1.7854
H12	2.8455	2.8199	2.1877	1.0971	2.0680	3.9221	3.8872	2.8634	3.0650	2.4436	1.7854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.777	C1	C2	H7	110.254
C1	C2	H8	107.716	C1	O5	C4	110.263
C2	C1	O5	109.123	C2	C1	O6	128.254
C2	C3	C4	100.929	C2	C3	H9	110.202
C2	C3	H10	114.263	C3	C2	H7	115.613
C3	C2	H8	111.674	C3	C4	O5	105.315
C3	C4	H11	114.110	C3	C4	H12	111.417
C4	C3	H9	109.868	C4	C3	H10	112.529
O5	C1	O6	122.623	O5	C4	H11	107.695
O5	C4	H12	108.716	H7	C2	H8	108.458
H9	C3	H10	108.836	H11	C4	H12	109.332

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

using model chemistry: CCSD/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: CCSD/6-311G**

States and conformations

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