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	hartrees
Energy at 0K	-304.404048
Energy at 298.15K
HF Energy	-304.195313
Nuclear repulsion energy	237.062181

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3190	3037	16.18
2	A	3184	3031	11.34
3	A	3173	3021	8.04
4	A	3120	2970	13.93
5	A	3102	2953	33.93
6	A	3100	2952	3.88
7	A	1806	1719	242.14
8	A	1592	1516	1.22
9	A	1567	1492	5.91
10	A	1540	1466	10.32
11	A	1403	1336	1.76
12	A	1396	1329	0.73
13	A	1355	1290	5.68
14	A	1292	1230	5.61
15	A	1248	1188	2.84
16	A	1208	1150	3.21
17	A	1136	1082	30.97
18	A	1104	1051	183.57
19	A	1031	981	14.69
20	A	989	941	53.73
21	A	934	890	2.27
22	A	904	861	16.25
23	A	884	842	28.72
24	A	771	734	8.70
25	A	671	639	5.39
26	A	634	603	3.21
27	A	532	507	2.35
28	A	473	450	2.19
29	A	213	202	3.65
30	A	148	141	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.904	0.004	0.005
C2	-0.027	1.215	0.191
C3	-1.404	0.681	-0.250
C4	-1.310	-0.815	0.141
O5	0.121	-1.165	-0.044
O6	2.120	-0.031	-0.079
H7	0.339	2.059	-0.390
H8	-0.030	1.487	1.252
H9	-1.507	0.773	-1.333
H10	-2.242	1.179	0.237
H11	-1.893	-1.473	-0.498
H12	-1.577	-0.968	1.189

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5391	2.4188	2.3641	1.4073	1.2193	2.1683	2.1512	2.8635	3.3665	3.2034	2.9156
C2	1.5391		1.5407	2.4011	2.3954	2.4971	1.0888	1.0953	2.1701	2.2152	3.3439	2.8570
C3	2.4188	1.5407		1.5488	2.4028	3.5991	2.2263	2.1893	1.0921	1.0897	2.2230	2.1956
C4	2.3641	2.4011	1.5488		1.4843	3.5250	3.3556	2.8586	2.1753	2.2033	1.0876	1.0924
O5	1.4073	2.3954	2.4028	1.4843		2.2985	3.2497	2.9554	2.8403	3.3400	2.0881	2.1073
O6	1.2193	2.4971	3.5991	3.5250	2.2985		2.7637	2.9492	3.9215	4.5376	4.2855	4.0191
H7	2.1683	1.0888	2.2263	3.3556	3.2497	2.7637		1.7776	2.4399	2.7978	4.1801	3.9154
H8	2.1512	1.0953	2.1893	2.8586	2.9554	2.9492	1.7776		3.0621	2.4531	3.9116	2.9030
H9	2.8635	2.1701	1.0921	2.1753	2.8403	3.9215	2.4399	3.0621		1.7803	2.4269	3.0655
H10	3.3665	2.2152	1.0897	2.2033	3.3400	4.5376	2.7978	2.4531	1.7803		2.7744	2.4417
H11	3.2034	3.3439	2.2230	1.0876	2.0881	4.2855	4.1801	3.9116	2.4269	2.7744		1.7894
H12	2.9156	2.8570	2.1956	1.0924	2.1073	4.0191	3.9154	2.9030	3.0655	2.4417	1.7894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.512	C1	C2	H7	110.016
C1	C2	H8	108.310	C1	O5	C4	109.658
C2	C1	O5	108.695	C2	C1	O6	129.356
C2	C3	C4	102.007	C2	C3	H9	109.853
C2	C3	H10	113.627	C3	C2	H7	114.610
C3	C2	H8	111.182	C3	C4	O5	104.762
C3	C4	H11	113.807	C3	C4	H12	111.284
C4	C3	H9	109.703	C4	C3	H10	112.072
O5	C1	O6	121.944	O5	C4	H11	107.561
O5	C4	H12	108.780	H7	C2	H8	108.953
H9	C3	H10	109.362	H11	C4	H12	110.327

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

using model chemistry: B2PLYP=FULL/3-21G

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: B2PLYP=FULL/3-21G

States and conformations

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