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	hartrees
Energy at 0K	-305.195073
Energy at 298.15K
HF Energy	-304.546910
Nuclear repulsion energy	235.273454

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3130	3016	25.67
2	A	3115	3002	7.58
3	A	3096	2983	15.22
4	A	3051	2940	30.61
5	A	3043	2933	17.85
6	A	3040	2929	8.26
7	A	1751	1688	270.95
8	A	1568	1511	0.51
9	A	1550	1494	4.93
10	A	1531	1476	7.90
11	A	1395	1345	3.81
12	A	1381	1331	0.10
13	A	1346	1297	2.40
14	A	1266	1219	5.88
15	A	1242	1197	1.75
16	A	1190	1147	4.94
17	A	1149	1108	184.61
18	A	1123	1082	39.59
19	A	1045	1007	14.93
20	A	980	944	52.01
21	A	931	897	7.15
22	A	906	873	13.49
23	A	874	842	32.92
24	A	783	755	15.08
25	A	664	639	3.45
26	A	640	616	6.62
27	A	522	503	6.28
28	A	473	455	3.44
29	A	188	181	4.65
30	A	139	134	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.906	-0.004	0.004
C2	-0.006	1.224	0.165
C3	-1.416	0.696	-0.213
C4	-1.330	-0.820	0.125
O5	0.114	-1.171	-0.043
O6	2.138	-0.043	-0.068
H7	0.353	2.044	-0.473
H8	0.040	1.564	1.214
H9	-1.600	0.835	-1.291
H10	-2.228	1.194	0.339
H11	-1.894	-1.467	-0.557
H12	-1.611	-1.037	1.167

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5379	2.4350	2.3833	1.4112	1.2353	2.1736	2.1615	2.9424	3.3711	3.2089	2.9590
C2	1.5379		1.5529	2.4365	2.4074	2.5016	1.0987	1.1039	2.1935	2.2288	3.3665	2.9487
C3	2.4350	1.5529		1.5562	2.4204	3.6338	2.2396	2.2163	1.1021	1.1002	2.2423	2.2237
C4	2.3833	2.4365	1.5562		1.4955	3.5595	3.3756	2.9582	2.1948	2.2157	1.0965	1.1009
O5	1.4112	2.4074	2.4204	1.4955		2.3173	3.2523	3.0112	2.9188	3.3500	2.0942	2.1116
O6	1.2353	2.5016	3.6338	3.5595	2.3173		2.7759	2.9374	4.0302	4.5560	4.3045	4.0708
H7	2.1736	1.0987	2.2396	3.3756	3.2523	2.7759		1.7815	2.4384	2.8360	4.1698	4.0049
H8	2.1615	1.1039	2.2163	2.9582	3.0112	2.9374	1.7815		3.0816	2.4588	4.0089	3.0815
H9	2.9424	2.1935	1.1021	2.1948	2.9188	4.0302	2.4384	3.0816		1.7830	2.4341	3.0892
H10	3.3711	2.2288	1.1002	2.2157	3.3500	4.5560	2.8360	2.4588	1.7830		2.8280	2.4578
H11	3.2089	3.3665	2.2423	1.0965	2.0942	4.3045	4.1698	4.0089	2.4341	2.8280		1.7996
H12	2.9590	2.9487	2.2237	1.1009	2.1116	4.0708	4.0049	3.0815	3.0892	2.4578	1.7996

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.965	C1	C2	H7	109.939
C1	C2	H8	108.695	C1	O5	C4	110.124
C2	C1	O5	109.364	C2	C1	O6	128.535
C2	C3	C4	103.193	C2	C3	H9	110.264
C2	C3	H10	113.189	C3	C2	H7	114.174
C3	C2	H8	111.954	C3	C4	O5	104.939
C3	C4	H11	114.292	C3	C4	H12	112.499
C4	C3	H9	110.130	C4	C3	H10	111.900
O5	C1	O6	122.098	O5	C4	H11	106.786
O5	C4	H12	107.876	H7	C2	H8	107.967
H9	C3	H10	108.120	H11	C4	H12	109.970

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

using model chemistry: QCISD/6-31G

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: QCISD/6-31G

States and conformations

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