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	hartrees
Energy at 0K	-305.183878
Energy at 298.15K
HF Energy	-304.548506
Nuclear repulsion energy	235.889410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3137	3010	26.42
2	A	3124	2998	7.43
3	A	3107	2981	13.78
4	A	3058	2935	30.62
5	A	3054	2930	17.90
6	A	3049	2926	7.54
7	A	1808	1735	278.08
8	A	1574	1511	0.39
9	A	1555	1492	5.45
10	A	1536	1473	8.36
11	A	1406	1349	6.23
12	A	1385	1329	0.12
13	A	1352	1297	2.92
14	A	1270	1219	7.91
15	A	1247	1197	2.35
16	A	1198	1149	6.04
17	A	1169	1122	229.93
18	A	1130	1084	15.75
19	A	1055	1012	20.64
20	A	1001	961	49.69
21	A	937	899	8.16
22	A	913	876	11.14
23	A	883	847	26.61
24	A	796	764	14.10
25	A	674	647	4.46
26	A	646	620	6.00
27	A	529	507	6.16
28	A	482	463	3.69
29	A	187	180	4.82
30	A	139	133	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.903	-0.004	0.004
C2	-0.005	1.224	0.163
C3	-1.416	0.694	-0.211
C4	-1.322	-0.822	0.124
O5	0.116	-1.166	-0.043
O6	2.129	-0.043	-0.067
H7	0.353	2.041	-0.477
H8	0.043	1.567	1.211
H9	-1.604	0.835	-1.287
H10	-2.225	1.189	0.346
H11	-1.886	-1.468	-0.560
H12	-1.607	-1.041	1.164

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5358	2.4314	2.3744	1.4044	1.2285	2.1723	2.1601	2.9423	3.3658	3.2003	2.9537
C2	1.5358		1.5524	2.4340	2.4020	2.4924	1.0983	1.1036	2.1932	2.2281	3.3628	2.9494
C3	2.4314	1.5524		1.5559	2.4159	3.6235	2.2393	2.2155	1.1017	1.0997	2.2405	2.2221
C4	2.3744	2.4340	1.5559		1.4884	3.5437	3.3719	2.9585	2.1947	2.2158	1.0963	1.1007
O5	1.4044	2.4020	2.4159	1.4884		2.3054	3.2457	3.0077	2.9177	3.3437	2.0899	2.1077
O6	1.2285	2.4924	3.6235	3.5437	2.3054		2.7688	2.9289	4.0242	4.5441	4.2892	4.0588
H7	2.1723	1.0983	2.2393	3.3719	3.2457	2.7688		1.7807	2.4375	2.8375	4.1641	4.0047
H8	2.1601	1.1036	2.2155	2.9585	3.0077	2.9289	1.7807		3.0798	2.4566	4.0082	3.0860
H9	2.9423	2.1932	1.1017	2.1947	2.9177	4.0242	2.4375	3.0798		1.7822	2.4320	3.0868
H10	3.3658	2.2281	1.0997	2.2158	3.3437	4.5441	2.8375	2.4566	1.7822		2.8275	2.4545
H11	3.2003	3.3628	2.2405	1.0963	2.0899	4.2892	4.1641	4.0082	2.4320	2.8275		1.7978
H12	2.9537	2.9494	2.2221	1.1007	2.1077	4.0588	4.0047	3.0860	3.0868	2.4545	1.7978

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

using model chemistry: CCD/6-31G

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: CCD/6-31G

States and conformations

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