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	hartrees
Energy at 0K	-305.801935
Energy at 298.15K
HF Energy	-304.804998
Nuclear repulsion energy	241.007984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3176	3034	11.39
2	A	3168	3026	24.64
3	A	3154	3013	17.03
4	A	3096	2957	21.73
5	A	3090	2952	5.20
6	A	3081	2943	39.52
7	A	1878	1794	390.36
8	A	1557	1488	0.61
9	A	1525	1457	6.43
10	A	1495	1428	6.39
11	A	1439	1374	14.57
12	A	1380	1319	1.66
13	A	1342	1282	13.11
14	A	1292	1234	14.53
15	A	1242	1187	11.15
16	A	1226	1171	4.29
17	A	1200	1146	218.87
18	A	1119	1069	13.93
19	A	1096	1047	69.70
20	A	1027	981	15.42
21	A	956	914	4.56
22	A	917	876	10.34
23	A	897	857	21.56
24	A	819	783	5.79
25	A	690	659	5.11
26	A	644	615	3.72
27	A	533	510	4.67
28	A	500	477	3.64
29	A	220	210	3.00
30	A	148	141	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.883	-0.002	0.006
C2	-0.030	1.204	0.180
C3	-1.395	0.664	-0.240
C4	-1.264	-0.812	0.143
O5	0.126	-1.135	-0.054
O6	2.078	-0.026	-0.074
H7	0.339	2.042	-0.407
H8	-0.011	1.487	1.237
H9	-1.524	0.757	-1.320
H10	-2.235	1.147	0.257
H11	-1.849	-1.488	-0.478
H12	-1.515	-0.978	1.194

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5230	2.3860	2.2992	1.3634	1.1977	2.1554	2.1292	2.8513	3.3331	3.1471	2.8485
C2	1.5230		1.5269	2.3644	2.3553	2.4535	1.0879	1.0938	2.1641	2.2075	3.3149	2.8272
C3	2.3860	1.5269		1.5301	2.3621	3.5444	2.2217	2.1844	1.0920	1.0897	2.2118	2.1830
C4	2.2992	2.3644	1.5301		1.4404	3.4404	3.3198	2.8375	2.1613	2.1896	1.0881	1.0935
O5	1.3634	2.3553	2.3621	1.4404		2.2453	3.2033	2.9248	2.8116	3.2980	2.0502	2.0670
O6	1.1977	2.4535	3.5444	3.4404	2.2453		2.7220	2.8931	3.8913	4.4821	4.2096	3.9270
H7	2.1554	1.0879	2.2217	3.3198	3.2033	2.7220		1.7699	2.4408	2.8057	4.1538	3.8886
H8	2.1292	1.0938	2.1844	2.8375	2.9248	2.8931	1.7699		3.0590	2.4536	3.8942	2.8871
H9	2.8513	2.1641	1.0920	2.1613	2.8116	3.8913	2.4408	3.0590		1.7737	2.4199	3.0551
H10	3.3331	2.2075	1.0897	2.1896	3.2980	4.4821	2.8057	2.4536	1.7737		2.7629	2.4316
H11	3.1471	3.3149	2.2118	1.0881	2.0502	4.2096	4.1538	3.8942	2.4199	2.7629		1.7803
H12	2.8485	2.8272	2.1830	1.0935	2.0670	3.9270	3.8886	2.8871	3.0551	2.4316	1.7803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.942	C1	C2	H7	110.171
C1	C2	H8	107.782	C1	O5	C4	110.146
C2	C1	O5	109.246	C2	C1	O6	128.395
C2	C3	C4	101.323	C2	C3	H9	110.343
C2	C3	H10	114.012	C3	C2	H7	115.322
C3	C2	H8	111.859	C3	C4	O5	105.307
C3	C4	H11	114.231	C3	C4	H12	111.536
C4	C3	H9	109.902	C4	C3	H10	112.304
O5	C1	O6	122.358	O5	C4	H11	107.547
O5	C4	H12	108.551	H7	C2	H8	108.442
H9	C3	H10	108.776	H11	C4	H12	109.383

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

using model chemistry: QCISD/TZVP

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/TZVP

States and conformations

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