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	hartrees
Energy at 0K	-304.404051
Energy at 298.15K
HF Energy	-304.195315
Nuclear repulsion energy	237.059284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3190	3190	16.72
2	A	3183	3183	10.82
3	A	3173	3173	8.00
4	A	3120	3120	13.94
5	A	3102	3102	33.90
6	A	3100	3100	3.87
7	A	1805	1805	242.07
8	A	1592	1592	1.23
9	A	1567	1567	5.94
10	A	1540	1540	10.29
11	A	1403	1403	1.79
12	A	1396	1396	0.70
13	A	1355	1355	5.69
14	A	1292	1292	5.58
15	A	1248	1248	2.84
16	A	1208	1208	3.22
17	A	1136	1136	31.05
18	A	1104	1104	183.64
19	A	1031	1031	14.91
20	A	989	989	53.59
21	A	934	934	2.17
22	A	904	904	16.22
23	A	884	884	28.73
24	A	771	771	8.68
25	A	671	671	5.38
26	A	634	634	3.23
27	A	532	532	2.35
28	A	473	473	2.20
29	A	213	213	3.66
30	A	148	148	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	-0.078
H7	0.339	2.059	-0.391
H8	-0.029	1.488	1.251
H9	-1.508	0.773	-1.333
H10	-2.242	1.179	0.238
H11	-1.894	-1.473	-0.498
H12	-1.577	-0.969	1.189

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5391	2.4189	2.3641	1.4073	1.2193	2.1681	2.1513	2.8640	3.3664	3.2035	2.9155
C2	1.5391		1.5407	2.4012	2.3954	2.4970	1.0888	1.0953	2.1701	2.2151	3.3440	2.8572
C3	2.4189	1.5407		1.5489	2.4029	3.5992	2.2262	2.1894	1.0921	1.0897	2.2231	2.1956
C4	2.3641	2.4012	1.5489		1.4843	3.5251	3.3555	2.8596	2.1754	2.2034	1.0876	1.0924
O5	1.4073	2.3954	2.4029	1.4843		2.2985	3.2494	2.9561	2.8407	3.3400	2.0881	2.1072
O6	1.2193	2.4970	3.5992	3.5251	2.2985		2.7634	2.9489	3.9223	4.5375	4.2857	4.0188
H7	2.1681	1.0888	2.2262	3.3555	3.2494	2.7634		1.7775	2.4396	2.7980	4.1798	3.9156
H8	2.1513	1.0953	2.1894	2.8596	2.9561	2.9489	1.7775		3.0620	2.4530	3.9124	2.9042
H9	2.8640	2.1701	1.0921	2.1754	2.8407	3.9223	2.4396	3.0620		1.7802	2.4269	3.0655
H10	3.3664	2.2151	1.0897	2.2034	3.3400	4.5375	2.7980	2.4530	1.7802		2.7746	2.4415
H11	3.2035	3.3440	2.2231	1.0876	2.0881	4.2857	4.1798	3.9124	2.4269	2.7746		1.7894
H12	2.9155	2.8572	2.1956	1.0924	2.1072	4.0188	3.9156	2.9042	3.0655	2.4415	1.7894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.520	C1	C2	H7	110.002
C1	C2	H8	108.321	C1	O5	C4	109.659
C2	C1	O5	108.701	C2	C1	O6	129.346
C2	C3	C4	102.013	C2	C3	H9	109.855
C2	C3	H10	113.625	C3	C2	H7	114.605
C3	C2	H8	111.197	C3	C4	O5	104.762
C3	C4	H11	113.810	C3	C4	H12	111.279
C4	C3	H9	109.705	C4	C3	H10	112.068
O5	C1	O6	121.948	O5	C4	H11	107.562
O5	C4	H12	108.774	H7	C2	H8	108.940
H9	C3	H10	109.359	H11	C4	H12	110.333

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

using model chemistry: B2PLYP=FULLultrafine/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=FULLultrafine/3-21G*

States and conformations

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