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	hartrees
Energy at 0K	-305.819158
Energy at 298.15K
HF Energy	-304.736110
Nuclear repulsion energy	241.654090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3205	3035	5.95
2	A	3192	3024	14.63
3	A	3181	3013	13.62
4	A	3129	2964	13.39
5	A	3120	2956	3.89
6	A	3104	2940	34.45
7	A	1951	1848	369.84
8	A	1564	1482	0.75
9	A	1532	1451	5.32
10	A	1500	1421	7.28
11	A	1440	1364	24.53
12	A	1376	1303	4.31
13	A	1342	1271	15.91
14	A	1294	1226	16.05
15	A	1250	1184	51.43
16	A	1228	1163	58.66
17	A	1227	1162	111.67
18	A	1130	1070	51.37
19	A	1118	1059	25.59
20	A	1032	978	10.37
21	A	965	914	3.56
22	A	918	870	11.21
23	A	902	854	9.62
24	A	830	786	4.46
25	A	700	663	5.62
26	A	650	616	4.01
27	A	541	513	3.21
28	A	502	475	4.41
29	A	220	208	2.46
30	A	151	143	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.882	-0.003	0.005
C2	-0.030	1.203	0.183
C3	-1.395	0.662	-0.240
C4	-1.255	-0.816	0.139
O5	0.128	-1.128	-0.047
O6	2.069	-0.025	-0.078
H7	0.342	2.047	-0.394
H8	-0.013	1.480	1.241
H9	-1.525	0.760	-1.320
H10	-2.239	1.142	0.255
H11	-1.836	-1.490	-0.489
H12	-1.519	-0.990	1.186

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5223	2.3847	2.2898	1.3548	1.1907	2.1570	2.1280	2.8512	3.3331	3.1368	2.8522
C2	1.5223		1.5279	2.3615	2.3472	2.4460	1.0879	1.0938	2.1653	2.2106	3.3112	2.8345
C3	2.3847	1.5279		1.5324	2.3582	3.5356	2.2262	2.1844	1.0918	1.0893	2.2113	2.1866
C4	2.2898	2.3615	1.5324		1.4297	3.4238	3.3206	2.8332	2.1643	2.1939	1.0891	1.0942
O5	1.3548	2.3472	2.3582	1.4297		2.2328	3.2004	2.9119	2.8136	3.2928	2.0452	2.0624
O6	1.1907	2.4460	3.5356	3.4238	2.2328		2.7159	2.8882	3.8828	4.4755	4.1910	3.9254
H7	2.1570	1.0879	2.2262	3.3206	3.2004	2.7159		1.7668	2.4484	2.8105	4.1544	3.8968
H8	2.1280	1.0938	2.1844	2.8332	2.9119	2.8882	1.7668		3.0594	2.4574	3.8905	2.8939
H9	2.8512	2.1653	1.0918	2.1643	2.8136	3.8828	2.4484	3.0594		1.7706	2.4190	3.0568
H10	3.3331	2.2106	1.0893	2.1939	3.2928	4.4755	2.8105	2.4574	1.7706		2.7645	2.4351
H11	3.1368	3.3112	2.2113	1.0891	2.0452	4.1910	4.1544	3.8905	2.4190	2.7645		1.7764
H12	2.8522	2.8345	2.1866	1.0942	2.0624	3.9254	3.8968	2.8939	3.0568	2.4351	1.7764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.856	C1	C2	H7	110.349
C1	C2	H8	107.738	C1	O5	C4	110.612
C2	C1	O5	109.199	C2	C1	O6	128.319
C2	C3	C4	101.011	C2	C3	H9	110.383
C2	C3	H10	114.228	C3	C2	H7	115.633
C3	C2	H8	111.789	C3	C4	O5	105.475
C3	C4	H11	113.954	C3	C4	H12	111.617
C4	C3	H9	109.993	C4	C3	H10	112.514
O5	C1	O6	122.481	O5	C4	H11	107.811
O5	C4	H12	108.873	H7	C2	H8	108.156
H9	C3	H10	108.540	H11	C4	H12	108.896

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

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

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