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	hartrees
Energy at 0K	-303.533410
Energy at 298.15K
HF Energy	-303.000901
Nuclear repulsion energy	238.108186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3246	3033	18.29
2	A	3240	3027	8.87
3	A	3229	3017	7.74
4	A	3174	2966	11.81
5	A	3164	2956	31.64
6	A	3160	2953	5.22
7	A	1909	1783	299.68
8	A	1636	1529	1.14
9	A	1606	1500	6.34
10	A	1581	1477	10.53
11	A	1453	1358	3.45
12	A	1435	1341	0.69
13	A	1397	1306	5.55
14	A	1327	1240	8.53
15	A	1288	1204	4.57
16	A	1250	1168	4.44
17	A	1184	1106	187.79
18	A	1161	1085	70.75
19	A	1070	1000	47.60
20	A	1036	968	27.94
21	A	956	893	3.07
22	A	930	869	24.48
23	A	914	854	9.93
24	A	804	751	7.77
25	A	700	654	8.18
26	A	656	613	4.43
27	A	551	515	4.00
28	A	495	462	3.48
29	A	213	199	4.46
30	A	145	135	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.901	-0.001	0.005
C2	-0.021	1.215	0.188
C3	-1.402	0.681	-0.244
C4	-1.302	-0.819	0.139
O5	0.121	-1.153	-0.045
O6	2.106	-0.035	-0.077
H7	0.345	2.051	-0.402
H8	-0.018	1.496	1.243
H9	-1.516	0.778	-1.324
H10	-2.234	1.176	0.251
H11	-1.882	-1.474	-0.502
H12	-1.570	-0.978	1.183

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5371	2.4147	2.3532	1.3919	1.2085	2.1649	2.1491	2.8659	3.3575	3.1888	2.9065
C2	1.5371		1.5424	2.4038	2.3833	2.4811	1.0863	1.0923	2.1701	2.2141	3.3417	2.8634
C3	2.4147	1.5424		1.5510	2.3916	3.5842	2.2253	2.1894	1.0896	1.0871	2.2223	2.1946
C4	2.3532	2.4038	1.5510		1.4724	3.5037	3.3522	2.8679	2.1760	2.2042	1.0848	1.0893
O5	1.3919	2.3833	2.3916	1.4724		2.2793	3.2312	2.9485	2.8356	3.3244	2.0787	2.0968
O6	1.2085	2.4811	3.5842	3.5037	2.2793		2.7491	2.9319	3.9158	4.5175	4.2610	3.9993
H7	2.1649	1.0863	2.2253	3.3522	3.2312	2.7491		1.7736	2.4353	2.8000	4.1700	3.9181
H8	2.1491	1.0923	2.1894	2.8679	2.9485	2.9319	1.7736		3.0575	2.4494	3.9165	2.9213
H9	2.8659	2.1701	1.0896	2.1760	2.8356	3.9158	2.4353	3.0575		1.7753	2.4246	3.0607
H10	3.3575	2.2141	1.0871	2.2042	3.3244	4.5175	2.8000	2.4494	1.7753		2.7765	2.4386
H11	3.1888	3.3417	2.2223	1.0848	2.0787	4.2610	4.1700	3.9165	2.4246	2.7765		1.7837
H12	2.9065	2.8634	2.1946	1.0893	2.0968	3.9993	3.9181	2.9213	3.0607	2.4386	1.7837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.283	C1	C2	H7	110.037
C1	C2	H8	108.452	C1	O5	C4	110.453
C2	C1	O5	108.814	C2	C1	O6	128.896
C2	C3	C4	101.984	C2	C3	H9	109.885
C2	C3	H10	113.583	C3	C2	H7	114.567
C3	C2	H8	111.251	C3	C4	O5	104.530
C3	C4	H11	113.764	C3	C4	H12	111.235
C4	C3	H9	109.746	C4	C3	H10	112.142
O5	C1	O6	122.287	O5	C4	H11	107.796
O5	C4	H12	108.954	H7	C2	H8	108.995
H9	C3	H10	109.292	H11	C4	H12	110.259

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

using model chemistry: CISD/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: CISD/3-21G*

States and conformations

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