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	hartrees
Energy at 0K	-306.277048
Energy at 298.15K
HF Energy	-305.916653
Nuclear repulsion energy	241.050253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3175	3175	8.18
2	A	3163	3163	18.82
3	A	3151	3151	15.56
4	A	3102	3102	17.08
5	A	3091	3091	5.24
6	A	3074	3074	39.79
7	A	1880	1880	338.69
8	A	1545	1545	0.53
9	A	1516	1516	4.31
10	A	1483	1483	6.83
11	A	1413	1413	16.80
12	A	1359	1359	2.54
13	A	1320	1320	7.57
14	A	1276	1276	7.52
15	A	1230	1230	15.48
16	A	1212	1212	3.16
17	A	1180	1180	193.70
18	A	1109	1109	11.27
19	A	1080	1080	67.85
20	A	1021	1021	16.91
21	A	952	952	3.99
22	A	905	905	9.15
23	A	886	886	15.35
24	A	813	813	4.10
25	A	687	687	4.39
26	A	643	643	4.04
27	A	537	537	2.83
28	A	490	490	3.44
29	A	213	213	1.96
30	A	151	151	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.886	-0.001	0.004
C2	-0.030	1.203	0.177
C3	-1.398	0.665	-0.231
C4	-1.262	-0.816	0.133
O5	0.126	-1.131	-0.045
O6	2.079	-0.027	-0.076
H7	0.337	2.042	-0.410
H8	-0.003	1.494	1.231
H9	-1.543	0.773	-1.307
H10	-2.235	1.142	0.277
H11	-1.839	-1.484	-0.505
H12	-1.532	-1.004	1.177

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5224	2.3905	2.3010	1.3626	1.1966	2.1560	2.1279	2.8668	3.3345	3.1434	2.8682
C2	1.5224		1.5262	2.3666	2.3504	2.4545	1.0877	1.0936	2.1632	2.2086	3.3107	2.8515
C3	2.3905	1.5262		1.5317	2.3632	3.5490	2.2227	2.1843	1.0913	1.0890	2.2109	2.1878
C4	2.3010	2.3666	1.5317		1.4348	3.4398	3.3206	2.8508	2.1634	2.1913	1.0889	1.0939
O5	1.3626	2.3504	2.3632	1.4348		2.2438	3.2016	2.9216	2.8294	3.2934	2.0486	2.0638
O6	1.1966	2.4545	3.5490	3.4398	2.2438		2.7258	2.8905	3.9088	4.4837	4.2021	3.9453
H7	2.1560	1.0877	2.2227	3.3206	3.2016	2.7258		1.7635	2.4397	2.8105	4.1448	3.9108
H8	2.1279	1.0936	2.1843	2.8508	2.9216	2.8905	1.7635		3.0553	2.4528	3.9052	2.9294
H9	2.8668	2.1632	1.0913	2.1634	2.8294	3.9088	2.4397	3.0553		1.7678	2.4135	3.0543
H10	3.3345	2.2086	1.0890	2.1913	3.2934	4.4837	2.8105	2.4528	1.7678		2.7685	2.4309
H11	3.1434	3.3107	2.2109	1.0889	2.0486	4.2021	4.1448	3.9052	2.4135	2.7685		1.7755
H12	2.8682	2.8515	2.1878	1.0939	2.0638	3.9453	3.9108	2.9294	3.0543	2.4309	1.7755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.280	C1	C2	H7	110.276
C1	C2	H8	107.736	C1	O5	C4	110.653
C2	C1	O5	108.984	C2	C1	O6	128.642
C2	C3	C4	101.417	C2	C3	H9	110.362
C2	C3	H10	114.201	C3	C2	H7	115.469
C3	C2	H8	111.908	C3	C4	O5	105.576
C3	C4	H11	113.989	C3	C4	H12	111.788
C4	C3	H9	110.003	C4	C3	H10	112.376
O5	C1	O6	122.372	O5	C4	H11	107.743
O5	C4	H12	108.652	H7	C2	H8	107.889
H9	C3	H10	108.345	H11	C4	H12	108.857

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

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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