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	hartrees
Energy at 0K	-306.477437
Energy at 298.15K
HF Energy	-306.477437
Nuclear repulsion energy	241.560296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3163	3026	8.59
2	A	3149	3012	28.10
3	A	3139	3002	14.63
4	A	3084	2950	21.68
5	A	3073	2940	6.89
6	A	3061	2928	42.86
7	A	1914	1831	430.71
8	A	1541	1474	1.20
9	A	1512	1446	8.61
10	A	1466	1402	10.84
11	A	1417	1356	20.03
12	A	1361	1302	1.41
13	A	1314	1257	13.98
14	A	1276	1221	13.43
15	A	1233	1179	27.59
16	A	1210	1158	4.20
17	A	1197	1145	212.90
18	A	1108	1060	30.77
19	A	1094	1046	59.02
20	A	1024	979	13.77
21	A	951	910	3.45
22	A	915	875	9.02
23	A	889	851	12.96
24	A	819	784	4.75
25	A	694	664	5.06
26	A	650	622	4.90
27	A	537	513	3.28
28	A	497	475	3.88
29	A	223	213	2.36
30	A	150	144	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.884	-0.003	0.003
C2	-0.029	1.202	0.171
C3	-1.399	0.663	-0.225
C4	-1.258	-0.818	0.134
O5	0.128	-1.126	-0.050
O6	2.073	-0.027	-0.071
H7	0.336	2.036	-0.426
H8	0.008	1.500	1.224
H9	-1.554	0.776	-1.300
H10	-2.232	1.138	0.294
H11	-1.835	-1.485	-0.505
H12	-1.519	-1.009	1.180

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5211	2.3885	2.2953	1.3551	1.1916	2.1541	2.1257	2.8721	3.3304	3.1381	2.8587
C2	1.5211		1.5245	2.3650	2.3442	2.4468	1.0885	1.0947	2.1619	2.2071	3.3079	2.8509
C3	2.3885	1.5245		1.5303	2.3584	3.5429	2.2215	2.1859	1.0925	1.0900	2.2099	2.1869
C4	2.2953	2.3650	1.5303		1.4312	3.4295	3.3164	2.8574	2.1649	2.1905	1.0890	1.0947
O5	1.3551	2.3442	2.3584	1.4312		2.2345	3.1912	2.9215	2.8307	3.2878	2.0466	2.0584
O6	1.1916	2.4468	3.5429	3.4295	2.2345		2.7199	2.8764	3.9132	4.4742	4.1938	3.9284
H7	2.1541	1.0885	2.2215	3.3164	3.1912	2.7199		1.7655	2.4339	2.8140	4.1375	3.9104
H8	2.1257	1.0947	2.1859	2.8574	2.9215	2.8764	1.7655		3.0555	2.4517	3.9112	2.9378
H9	2.8721	2.1619	1.0925	2.1649	2.8307	3.9132	2.4339	3.0555		1.7695	2.4139	3.0559
H10	3.3304	2.2071	1.0900	2.1905	3.2878	4.4742	2.8140	2.4517	1.7695		2.7702	2.4289
H11	3.1381	3.3079	2.2099	1.0890	2.0466	4.1938	4.1375	3.9112	2.4139	2.7702		1.7784
H12	2.8587	2.8509	2.1869	1.0947	2.0584	3.9284	3.9104	2.9378	3.0559	2.4289	1.7784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.302	C1	C2	H7	110.164
C1	C2	H8	107.591	C1	O5	C4	110.897
C2	C1	O5	109.043	C2	C1	O6	128.430
C2	C3	C4	101.462	C2	C3	H9	110.302
C2	C3	H10	114.133	C3	C2	H7	115.442
C3	C2	H8	112.101	C3	C4	O5	105.516
C3	C4	H11	114.001	C3	C4	H12	111.762
C4	C3	H9	110.135	C4	C3	H10	112.345
O5	C1	O6	122.526	O5	C4	H11	107.828
O5	C4	H12	108.424	H7	C2	H8	107.936
H9	C3	H10	108.337	H11	C4	H12	109.052

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

using model chemistry: wB97X-D/6-311G**

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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Number	Element	Mulliken
1	C	0.366
2	C	-0.329
3	C	-0.304
4	C	-0.012
5	O	-0.294
6	O	-0.319
7	H	0.167
8	H	0.164
9	H	0.148
10	H	0.143
11	H	0.139
12	H	0.131

	x	y	z	Total
	-4.334	1.516	0.417	4.610
CHELPG
AIM
ESP

	x	y	z
x	8.121	0.430	-0.077
y	0.430	6.610	0.014
z	-0.077	0.014	5.543

<r²>	138.984
(<r²>)^1/2	11.789

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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