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	hartrees
Energy at 0K	-306.410506
Energy at 298.15K
HF Energy	-306.006768
Nuclear repulsion energy	241.153286

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3155	3027	7.61
2	A	3147	3019	20.21
3	A	3135	3007	14.43
4	A	3084	2959	19.76
5	A	3075	2950	5.43
6	A	3067	2943	36.03
7	A	1836	1762	406.24
8	A	1544	1481	0.68
9	A	1518	1456	5.87
10	A	1484	1424	8.03
11	A	1407	1350	15.05
12	A	1358	1303	1.31
13	A	1320	1267	6.01
14	A	1277	1225	6.82
15	A	1234	1184	11.15
16	A	1212	1162	3.54
17	A	1173	1125	210.89
18	A	1109	1064	10.75
19	A	1065	1022	74.03
20	A	1016	975	24.86
21	A	947	908	5.31
22	A	903	866	8.70
23	A	882	846	24.62
24	A	810	778	5.36
25	A	683	655	3.76
26	A	643	617	4.46
27	A	537	515	3.61
28	A	490	470	3.04
29	A	208	200	2.14
30	A	149	143	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.885	-0.002	0.004
C2	-0.025	1.200	0.168
C3	-1.398	0.667	-0.221
C4	-1.269	-0.814	0.130
O5	0.125	-1.131	-0.047
O6	2.080	-0.029	-0.071
H7	0.337	2.028	-0.432
H8	0.015	1.503	1.215
H9	-1.561	0.785	-1.290
H10	-2.221	1.143	0.305
H11	-1.838	-1.473	-0.517
H12	-1.535	-1.013	1.168

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5168	2.3901	2.3060	1.3622	1.1979	2.1477	2.1188	2.8771	3.3241	3.1390	2.8697
C2	1.5168		1.5239	2.3683	2.3466	2.4496	1.0846	1.0906	2.1587	2.2012	3.3027	2.8601
C3	2.3901	1.5239		1.5277	2.3638	3.5510	2.2153	2.1811	1.0882	1.0862	2.2054	2.1842
C4	2.3060	2.3683	1.5277		1.4412	3.4464	3.3128	2.8627	2.1583	2.1834	1.0849	1.0898
O5	1.3622	2.3466	2.3638	1.4412		2.2446	3.1902	2.9230	2.8395	3.2868	2.0480	2.0606
O6	1.1979	2.4496	3.5510	3.4464	2.2446		2.7211	2.8752	3.9257	4.4740	4.2002	3.9464
H7	2.1477	1.0846	2.2153	3.3128	3.1902	2.7211		1.7588	2.4258	2.8051	4.1230	3.9133
H8	2.1188	1.0906	2.1811	2.8627	2.9230	2.8752	1.7588		3.0458	2.4405	3.9106	2.9553
H9	2.8771	2.1587	1.0882	2.1583	2.8395	3.9257	2.4258	3.0458		1.7633	2.4028	3.0456
H10	3.3241	2.2012	1.0862	2.1834	3.2868	4.4740	2.8051	2.4405	1.7633		2.7693	2.4216
H11	3.1390	3.3027	2.2054	1.0849	2.0480	4.2002	4.1230	3.9106	2.4028	2.7693		1.7730
H12	2.8697	2.8601	2.1842	1.0898	2.0606	3.9464	3.9133	2.9553	3.0456	2.4216	1.7730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.634	C1	C2	H7	110.190
C1	C2	H8	107.583	C1	O5	C4	110.649
C2	C1	O5	109.068	C2	C1	O6	128.558
C2	C3	C4	101.806	C2	C3	H9	110.357
C2	C3	H10	113.939	C3	C2	H7	115.230
C3	C2	H8	112.008	C3	C4	O5	105.492
C3	C4	H11	114.083	C3	C4	H12	112.027
C4	C3	H9	110.054	C4	C3	H10	112.189
O5	C1	O6	122.373	O5	C4	H11	107.495
O5	C4	H12	108.202	H7	C2	H8	107.915
H9	C3	H10	108.377	H11	C4	H12	109.229

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

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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