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	hartrees
Energy at 0K	-305.611662
Energy at 298.15K
HF Energy	-304.703139
Nuclear repulsion energy	241.065493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3206	3009	7.94
2	A	3198	3001	22.85
3	A	3188	2991	10.37
4	A	3134	2940	15.88
5	A	3122	2930	4.51
6	A	3115	2923	35.84
7	A	1965	1843	378.53
8	A	1591	1493	0.43
9	A	1561	1465	6.63
10	A	1531	1436	9.39
11	A	1450	1360	27.40
12	A	1394	1308	3.25
13	A	1360	1277	18.78
14	A	1300	1220	20.43
15	A	1265	1187	47.79
16	A	1243	1166	183.10
17	A	1237	1160	2.63
18	A	1139	1068	18.11
19	A	1123	1054	59.41
20	A	1044	980	14.96
21	A	973	913	4.43
22	A	930	873	9.80
23	A	914	858	13.08
24	A	840	788	5.84
25	A	702	658	6.39
26	A	657	617	4.39
27	A	544	510	4.20
28	A	502	471	4.75
29	A	223	210	3.05
30	A	153	143	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.882	-0.004	0.005
C2	-0.026	1.201	0.182
C3	-1.392	0.666	-0.238
C4	-1.266	-0.812	0.138
O5	0.124	-1.132	-0.047
O6	2.078	-0.029	-0.077
H7	0.348	2.044	-0.401
H8	-0.007	1.487	1.240
H9	-1.525	0.769	-1.319
H10	-2.234	1.154	0.258
H11	-1.847	-1.486	-0.493
H12	-1.529	-0.990	1.187

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5195	2.3836	2.2988	1.3603	1.1988	2.1552	2.1307	2.8537	3.3341	3.1445	2.8604
C2	1.5195		1.5264	2.3647	2.3496	2.4505	1.0906	1.0963	2.1652	2.2102	3.3153	2.8408
C3	2.3836	1.5264		1.5303	2.3602	3.5428	2.2257	2.1863	1.0941	1.0921	2.2144	2.1890
C4	2.2988	2.3647	1.5303		1.4384	3.4412	3.3243	2.8436	2.1651	2.1944	1.0908	1.0958
O5	1.3603	2.3496	2.3602	1.4384		2.2445	3.2038	2.9218	2.8194	3.2986	2.0506	2.0677
O6	1.1988	2.4505	3.5428	3.4412	2.2445		2.7189	2.8943	3.8933	4.4837	4.2067	3.9410
H7	2.1552	1.0906	2.2257	3.3243	3.2038	2.7189		1.7685	2.4452	2.8096	4.1575	3.9049
H8	2.1307	1.0963	2.1863	2.8436	2.9218	2.8943	1.7685		3.0615	2.4572	3.9025	2.9081
H9	2.8537	2.1652	1.0941	2.1651	2.8194	3.8933	2.4452	3.0615		1.7721	2.4224	3.0614
H10	3.3341	2.2102	1.0921	2.1944	3.2986	4.4837	2.8096	2.4572	1.7721		2.7721	2.4404
H11	3.1445	3.3153	2.2144	1.0908	2.0506	4.2067	4.1575	3.9025	2.4224	2.7721		1.7802
H12	2.8604	2.8408	2.1890	1.0958	2.0677	3.9410	3.9049	2.9081	3.0614	2.4404	1.7802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.993	C1	C2	H7	110.242
C1	C2	H8	107.993	C1	O5	C4	110.413
C2	C1	O5	109.230	C2	C1	O6	128.317
C2	C3	C4	101.358	C2	C3	H9	110.342
C2	C3	H10	114.111	C3	C2	H7	115.515
C3	C2	H8	111.891	C3	C4	O5	105.269
C3	C4	H11	114.259	C3	C4	H12	111.871
C4	C3	H9	110.064	C4	C3	H10	112.528
O5	C1	O6	122.453	O5	C4	H11	107.548
O5	C4	H12	108.605	H7	C2	H8	107.932
H9	C3	H10	108.306	H11	C4	H12	109.010

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

using model chemistry: MP3=FULL/6-31G*

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: MP3=FULL/6-31G*

States and conformations

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