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	hartrees
Energy at 0K	-303.636340
Energy at 298.15K
HF Energy	-302.996661
Nuclear repulsion energy	235.858788

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3141	3044	12.57
2	A	3133	3036	17.86
3	A	3123	3027	8.90
4	A	3070	2975	13.23
5	A	3058	2964	4.60
6	A	3053	2959	33.57
7	A	1803	1748	226.65
8	A	1588	1539	1.56
9	A	1561	1513	5.12
10	A	1540	1493	8.36
11	A	1398	1355	2.24
12	A	1388	1346	0.47
13	A	1350	1308	5.10
14	A	1283	1243	6.98
15	A	1243	1204	2.64
16	A	1205	1168	3.49
17	A	1133	1098	55.24
18	A	1108	1074	161.38
19	A	1021	990	19.11
20	A	989	959	42.92
21	A	924	895	2.38
22	A	892	865	21.41
23	A	880	853	17.38
24	A	760	737	9.70
25	A	669	648	5.55
26	A	628	608	3.24
27	A	528	511	3.17
28	A	473	459	2.51
29	A	210	204	3.99
30	A	139	135	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.908	0.003	0.006
C2	-0.026	1.225	0.192
C3	-1.411	0.684	-0.252
C4	-1.313	-0.821	0.145
O5	0.122	-1.172	-0.048
O6	2.127	-0.031	-0.077
H7	0.341	2.070	-0.399
H8	-0.031	1.505	1.256
H9	-1.513	0.773	-1.342
H10	-2.255	1.185	0.235
H11	-1.904	-1.485	-0.492
H12	-1.578	-0.969	1.201

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5498	2.4305	2.3727	1.4147	1.2223	2.1813	2.1677	2.8761	3.3841	3.2199	2.9241
C2	1.5498		1.5513	2.4178	2.4141	2.5077	1.0944	1.1004	2.1835	2.2290	3.3670	2.8708
C3	2.4305	1.5513		1.5603	2.4160	3.6136	2.2389	2.2026	1.0979	1.0955	2.2370	2.2077
C4	2.3727	2.4178	1.5603		1.4896	3.5362	3.3753	2.8785	2.1893	2.2183	1.0935	1.0982
O5	1.4147	2.4141	2.4160	1.4896		2.3070	3.2684	2.9816	2.8513	3.3593	2.0973	2.1189
O6	1.2223	2.5077	3.6136	3.5362	2.3070		2.7760	2.9655	3.9366	4.5580	4.3049	4.0295
H7	2.1813	1.0944	2.2389	3.3753	3.2684	2.7760		1.7885	2.4519	2.8152	4.2054	3.9346
H8	2.1677	1.1004	2.2026	2.8785	2.9816	2.9655	1.7885		3.0792	2.4677	3.9367	2.9180
H9	2.8761	2.1835	1.0979	2.1893	2.8513	3.9366	2.4519	3.0792		1.7902	2.4434	3.0829
H10	3.3841	2.2290	1.0955	2.2183	3.3593	4.5580	2.8152	2.4677	1.7902		2.7889	2.4564
H11	3.2199	3.3670	2.2370	1.0935	2.0973	4.3049	4.2054	3.9367	2.4434	2.7889		1.7993
H12	2.9241	2.8708	2.2077	1.0982	2.1189	4.0295	3.9346	2.9180	3.0829	2.4564	1.7993

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.211	C1	C2	H7	109.961
C1	C2	H8	108.570	C1	O5	C4	109.538
C2	C1	O5	108.958	C2	C1	O6	129.155
C2	C3	C4	101.982	C2	C3	H9	109.830
C2	C3	H10	113.625	C3	C2	H7	114.503
C3	C2	H8	111.188	C3	C4	O5	104.754
C3	C4	H11	113.747	C3	C4	H12	111.092
C4	C3	H9	109.668	C4	C3	H10	112.107
O5	C1	O6	121.885	O5	C4	H11	107.589
O5	C4	H12	108.995	H7	C2	H8	109.147
H9	C3	H10	109.405	H11	C4	H12	110.365

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

using model chemistry: QCISD/3-21G

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/3-21G

States and conformations

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