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	hartrees
Energy at 0K
Energy at 298.15K	-0.145834
HF Energy	-0.145834
Nuclear repulsion energy	157.958521

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3124	2979	3.02
2	A	3117	2972	6.18
3	A	3117	2972	26.33
4	A	3071	2928	21.80
5	A	3054	2912	11.37
6	A	3038	2896	4.09
7	A	2123	2024	371.98
8	A	1488	1419	140.44
9	A	1417	1351	1.38
10	A	1394	1329	26.92
11	A	1385	1321	1.79
12	A	1369	1306	7.12
13	A	1346	1284	127.55
14	A	1299	1238	33.05
15	A	1283	1223	43.15
16	A	1204	1148	0.71
17	A	1179	1124	13.29
18	A	1155	1101	2.05
19	A	1140	1087	0.72
20	A	1136	1083	7.33
21	A	1081	1030	0.96
22	A	1047	998	5.02
23	A	922	879	7.87
24	A	793	756	3.59
25	A	778	742	0.96
26	A	686	654	3.91
27	A	527	503	4.71
28	A	471	449	16.71
29	A	166	158	0.52
30	A	108	103	3.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.877	0.061	-0.000
C2	-0.053	1.244	-0.000
C3	-1.450	0.637	0.000
C4	-1.236	-0.881	0.000
O5	0.183	-1.134	-0.000
O6	2.098	-0.025	0.000
H7	0.134	1.872	-0.907
H8	0.134	1.873	0.906
H9	-2.027	0.952	-0.903
H10	-2.026	0.952	0.903
H11	-1.647	-1.371	-0.918
H12	-1.646	-1.371	0.918

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5048	2.3968	2.3127	1.3817	1.2242	2.1576	2.1577	3.1689	3.1686	3.0429	3.0426
C2	1.5048		1.5234	2.4318	2.3897	2.4970	1.1183	1.1183	2.1902	2.1902	3.1969	3.1969
C3	2.3968	1.5234		1.5322	2.4083	3.6088	2.2036	2.2036	1.1171	1.1171	2.2162	2.2161
C4	2.3127	2.4318	1.5322		1.4408	3.4418	3.2053	3.2057	2.1910	2.1910	1.1188	1.1188
O5	1.3817	2.3897	2.4083	1.4408		2.2134	3.1400	3.1406	3.1701	3.1700	2.0601	2.0602
O6	1.2242	2.4970	3.6088	3.4418	2.2134		2.8772	2.8770	4.3342	4.3337	4.0838	4.0833
H7	2.1576	1.1183	2.2036	3.2053	3.1400	2.8772		1.8124	2.3482	2.9645	3.6994	4.1248
H8	2.1577	1.1183	2.2036	3.2057	3.1406	2.8770	1.8124		2.9642	2.3483	4.1251	3.7000
H9	3.1689	2.1902	1.1171	2.1910	3.1701	4.3342	2.3482	2.9642		1.8061	2.3542	2.9762
H10	3.1686	2.1902	1.1171	2.1910	3.1700	4.3337	2.9645	2.3483	1.8061		2.9762	2.3541
H11	3.0429	3.1969	2.2162	1.1188	2.0601	4.0838	3.6994	4.1251	2.3542	2.9762		1.8359
H12	3.0426	3.1969	2.2161	1.1188	2.0602	4.0833	4.1248	3.7000	2.9762	2.3541	1.8359

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	104.648	C1	C2	H7	109.797
C1	C2	H8	109.807	C1	O5	C4	110.029
C2	C1	O5	111.694	C2	C1	O6	132.144
C2	C3	C4	105.471	C2	C3	H9	111.156
C2	C3	H10	111.158	C3	C2	H7	112.143
C3	C2	H8	112.149	C3	C4	O5	108.159
C3	C4	H11	112.503	C3	C4	H12	112.496
C4	C3	H9	110.607	C4	C3	H10	110.607
O5	C1	O6	116.162	O5	C4	H11	106.516
O5	C4	H12	106.517	H7	C2	H8	108.249
H9	C3	H10	107.870	H11	C4	H12	110.266

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

using model chemistry: AM1

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: AM1

States and conformations

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