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	hartrees
Energy at 0K	-305.442269
Energy at 298.15K
HF Energy	-304.704498
Nuclear repulsion energy	242.203339

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3276	3033	15.60
2	A	3271	3029	20.17
3	A	3256	3014	13.57
4	A	3200	2963	17.74
5	A	3192	2955	17.79
6	A	3191	2954	27.77
7	A	2003	1854	435.89
8	A	1633	1512	0.44
9	A	1601	1482	6.44
10	A	1568	1452	9.07
11	A	1496	1385	30.70
12	A	1438	1331	4.10
13	A	1405	1301	21.17
14	A	1338	1238	23.91
15	A	1303	1206	53.09
16	A	1281	1186	189.60
17	A	1273	1179	3.30
18	A	1173	1086	22.52
19	A	1158	1072	67.84
20	A	1070	991	13.26
21	A	995	921	5.41
22	A	954	883	9.61
23	A	938	868	11.82
24	A	862	798	6.00
25	A	718	665	7.86
26	A	675	625	5.16
27	A	559	518	5.38
28	A	514	476	5.48
29	A	224	208	3.09
30	A	155	144	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.879	-0.006	0.004
C2	-0.024	1.197	0.178
C3	-1.389	0.664	-0.232
C4	-1.261	-0.811	0.134
O5	0.122	-1.123	-0.046
O6	2.069	-0.030	-0.075
H7	0.345	2.032	-0.408
H8	0.003	1.487	1.228
H9	-1.532	0.772	-1.305
H10	-2.223	1.146	0.272
H11	-1.833	-1.479	-0.500
H12	-1.525	-0.998	1.174

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5149	2.3777	2.2901	1.3495	1.1926	2.1475	2.1211	2.8523	3.3201	3.1276	2.8521
C2	1.5149		1.5220	2.3592	2.3351	2.4396	1.0847	1.0902	2.1574	2.2013	3.3008	2.8399
C3	2.3777	1.5220		1.5259	2.3479	3.5311	2.2162	2.1787	1.0882	1.0862	2.2051	2.1812
C4	2.2901	2.3592	1.5259		1.4289	3.4265	3.3105	2.8419	2.1573	2.1857	1.0844	1.0890
O5	1.3495	2.3351	2.3479	1.4289		2.2324	3.1833	2.9067	2.8130	3.2783	2.0392	2.0541
O6	1.1926	2.4396	3.5311	3.4265	2.2324		2.7086	2.8764	3.8890	4.4636	4.1843	3.9265
H7	2.1475	1.0847	2.2162	3.3105	3.1833	2.7086		1.7583	2.4326	2.8000	4.1333	3.8966
H8	2.1211	1.0902	2.1787	2.8419	2.9067	2.8764	1.7583		3.0471	2.4459	3.8930	2.9176
H9	2.8523	2.1574	1.0882	2.1573	2.8130	3.8890	2.4326	3.0471		1.7616	2.4098	3.0464
H10	3.3201	2.2013	1.0862	2.1857	3.2783	4.4636	2.8000	2.4459	1.7616		2.7638	2.4287
H11	3.1276	3.3008	2.2051	1.0844	2.0392	4.1843	4.1333	3.8930	2.4098	2.7638		1.7688
H12	2.8521	2.8399	2.1812	1.0890	2.0541	3.9265	3.8966	2.9176	3.0464	2.4287	1.7688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.059	C1	C2	H7	110.301
C1	C2	H8	107.903	C1	O5	C4	110.991
C2	C1	O5	109.077	C2	C1	O6	128.198
C2	C3	C4	101.438	C2	C3	H9	110.382
C2	C3	H10	114.084	C3	C2	H7	115.445
C3	C2	H8	111.972	C3	C4	O5	105.186
C3	C4	H11	114.227	C3	C4	H12	111.967
C4	C3	H9	110.100	C4	C3	H10	112.506
O5	C1	O6	122.724	O5	C4	H11	107.669
O5	C4	H12	108.573	H7	C2	H8	107.888
H9	C3	H10	108.214	H11	C4	H12	108.942

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

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

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