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	hartrees
Energy at 0K
Energy at 298.15K	-0.145812
HF Energy	-0.145812
Nuclear repulsion energy	154.490157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3075	2995	5.88
2	A	3068	2988	10.79
3	A	3033	2954	1.59
4	A	3000	2922	11.77
5	A	2987	2909	2.53
6	A	2977	2900	0.07
7	A	2027	1975	356.37
8	A	1424	1387	9.70
9	A	1394	1357	43.07
10	A	1376	1340	15.81
11	A	1357	1321	78.60
12	A	1302	1268	39.54
13	A	1293	1259	55.73
14	A	1250	1217	66.93
15	A	1114	1085	1.31
16	A	1108	1079	0.89
17	A	1092	1064	1.91
18	A	1050	1023	10.72
19	A	1036	1009	2.45
20	A	1029	1002	0.99
21	A	995	969	0.05
22	A	936	912	6.05
23	A	888	865	9.97
24	A	784	764	2.53
25	A	725	706	0.41
26	A	627	611	1.50
27	A	531	517	9.44
28	A	425	414	16.61
29	A	162	158	0.11
30	A	90	87	3.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.871	0.079	-0.000
C2	-0.076	1.258	-0.000
C3	-1.460	0.612	0.000
C4	-1.200	-0.903	0.000
O5	0.212	-1.125	-0.000
O6	2.075	-0.011	0.000
H7	0.095	1.899	-0.884
H8	0.096	1.900	0.883
H9	-2.054	0.917	-0.880
H10	-2.053	0.917	0.881
H11	-1.595	-1.414	-0.893
H12	-1.595	-1.414	0.893

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5120	2.3912	2.2921	1.3729	1.2071	2.1666	2.1666	3.1673	3.1669	3.0182	3.0182
C2	1.5120		1.5271	2.4359	2.4002	2.4972	1.1052	1.1052	2.1913	2.1912	3.2008	3.2010
C3	2.3912	1.5271		1.5379	2.4112	3.5892	2.2038	2.2038	1.1047	1.1047	2.2190	2.2190
C4	2.2921	2.4359	1.5379		1.4290	3.3939	3.2112	3.2117	2.1953	2.1952	1.1024	1.1024
O5	1.3729	2.4002	2.4112	1.4290		2.1705	3.1526	3.1531	3.1748	3.1746	2.0362	2.0362
O6	1.2071	2.4972	3.5892	3.3939	2.1705		2.8891	2.8889	4.3223	4.3217	4.0292	4.0290
H7	2.1666	1.1052	2.2038	3.2112	3.1526	2.8891		1.7670	2.3629	2.9488	3.7196	4.1224
H8	2.1666	1.1052	2.2038	3.2117	3.1531	2.8889	1.7670		2.9485	2.3629	4.1226	3.7204
H9	3.1673	2.1913	1.1047	2.1953	3.1748	4.3223	2.3629	2.9485		1.7608	2.3766	2.9653
H10	3.1669	2.1912	1.1047	2.1952	3.1746	4.3217	2.9488	2.3629	1.7608		2.9655	2.3764
H11	3.0182	3.2008	2.2190	1.1024	2.0362	4.0292	3.7196	4.1226	2.3766	2.9655		1.7866
H12	3.0182	3.2010	2.2190	1.1024	2.0362	4.0290	4.1224	3.7204	2.9653	2.3764	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.777	C1	C2	H7	110.795
C1	C2	H8	110.801	C1	O5	C4	109.767
C2	C1	O5	112.525	C2	C1	O6	133.071
C2	C3	C4	105.265	C2	C3	H9	111.731
C2	C3	H10	111.729	C3	C2	H7	112.711
C3	C2	H8	112.715	C3	C4	O5	108.666
C3	C4	H11	113.347	C3	C4	H12	113.342
C4	C3	H9	111.288	C4	C3	H10	111.286
O5	C1	O6	114.405	O5	C4	H11	106.387
O5	C4	H12	106.389	H7	C2	H8	106.149
H9	C3	H10	105.671	H11	C4	H12	108.257

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

using model chemistry: PM3

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: PM3

States and conformations

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