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	hartrees
Energy at 0K	-305.735137
Energy at 298.15K
HF Energy	-304.742960
Nuclear repulsion energy	239.144108

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3155	3056	12.02
2	A	3148	3049	22.02
3	A	3133	3035	16.49
4	A	3073	2977	19.99
5	A	3069	2973	7.01
6	A	3062	2966	39.89
7	A	1843	1785	396.62
8	A	1524	1476	0.35
9	A	1495	1448	5.24
10	A	1465	1419	6.28
11	A	1395	1351	21.14
12	A	1343	1301	4.20
13	A	1310	1269	16.73
14	A	1259	1220	9.18
15	A	1220	1182	22.36
16	A	1196	1159	12.84
17	A	1183	1146	168.98
18	A	1097	1063	9.94
19	A	1075	1042	72.16
20	A	1006	975	19.90
21	A	947	917	5.88
22	A	894	866	10.93
23	A	875	848	23.88
24	A	809	784	6.13
25	A	677	655	4.46
26	A	634	615	3.75
27	A	530	513	4.26
28	A	487	472	3.97
29	A	218	211	2.53
30	A	147	143	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.889	-0.002	0.005
C2	-0.027	1.211	0.178
C3	-1.406	0.671	-0.236
C4	-1.277	-0.817	0.141
O5	0.126	-1.143	-0.053
O6	2.094	-0.028	-0.073
H7	0.346	2.055	-0.418
H8	-0.001	1.499	1.245
H9	-1.545	0.772	-1.325
H10	-2.251	1.158	0.275
H11	-1.860	-1.497	-0.496
H12	-1.530	-0.998	1.200

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5300	2.4035	2.3181	1.3735	1.2082	2.1689	2.1404	2.8796	3.3578	3.1692	2.8766
C2	1.5300		1.5380	2.3827	2.3702	2.4696	1.0987	1.1045	2.1813	2.2262	3.3389	2.8607
C3	2.4035	1.5380		1.5403	2.3812	3.5730	2.2407	2.2028	1.1028	1.1008	2.2296	2.2049
C4	2.3181	2.3827	1.5403		1.4532	3.4689	3.3462	2.8653	2.1790	2.2064	1.0991	1.1043
O5	1.3735	2.3702	2.3812	1.4532		2.2620	3.2262	2.9456	2.8427	3.3242	2.0662	2.0822
O6	1.2082	2.4696	3.5730	3.4689	2.2620		2.7409	2.9081	3.9310	4.5172	4.2398	3.9626
H7	2.1689	1.0987	2.2407	3.3462	3.2262	2.7409		1.7871	2.4589	2.8334	4.1822	3.9320
H8	2.1404	1.1045	2.2028	2.8653	2.9456	2.9081	1.7871		3.0848	2.4734	3.9320	2.9281
H9	2.8796	2.1813	1.1028	2.1790	2.8427	3.9310	2.4589	3.0848		1.7906	2.4361	3.0841
H10	3.3578	2.2262	1.1008	2.2064	3.3242	4.5172	2.8334	2.4734	1.7906		2.7918	2.4541
H11	3.1692	3.3389	2.2296	1.0991	2.0662	4.2398	4.1822	3.9320	2.4361	2.7918		1.7989
H12	2.8766	2.8607	2.2049	1.1043	2.0822	3.9626	3.9320	2.9281	3.0841	2.4541	1.7989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.151	C1	C2	H7	110.112
C1	C2	H8	107.571	C1	O5	C4	110.148
C2	C1	O5	109.322	C2	C1	O6	128.440
C2	C3	C4	101.439	C2	C3	H9	110.294
C2	C3	H10	114.030	C3	C2	H7	115.368
C3	C2	H8	111.895	C3	C4	O5	105.361
C3	C4	H11	114.249	C3	C4	H12	111.919
C4	C3	H9	109.958	C4	C3	H10	112.250
O5	C1	O6	122.237	O5	C4	H11	107.284
O5	C4	H12	108.232	H7	C2	H8	108.406
H9	C3	H10	108.702	H11	C4	H12	109.455

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

using model chemistry: QCISD/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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