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	hartrees
Energy at 0K	-306.251542
Energy at 298.15K
HF Energy	-305.930993
Nuclear repulsion energy	239.752401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3166	3045	14.07
2	A	3160	3040	17.48
3	A	3146	3026	13.63
4	A	3090	2972	20.53
5	A	3080	2963	6.80
6	A	3075	2957	39.91
7	A	1822	1752	395.15
8	A	1522	1464	0.45
9	A	1495	1438	6.29
10	A	1461	1406	7.61
11	A	1387	1334	17.34
12	A	1339	1287	2.70
13	A	1300	1251	10.66
14	A	1256	1208	6.50
15	A	1215	1169	16.04
16	A	1193	1148	5.02
17	A	1166	1121	190.40
18	A	1093	1052	9.58
19	A	1059	1019	69.22
20	A	1005	966	28.48
21	A	944	908	5.98
22	A	894	859	9.17
23	A	872	839	26.48
24	A	806	775	5.65
25	A	675	650	3.57
26	A	637	613	4.51
27	A	532	512	3.69
28	A	485	466	3.31
29	A	210	202	2.18
30	A	149	143	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.888	-0.001	0.004
C2	-0.025	1.207	0.170
C3	-1.405	0.670	-0.224
C4	-1.276	-0.817	0.133
O5	0.126	-1.138	-0.050
O6	2.092	-0.030	-0.070
H7	0.341	2.040	-0.437
H8	0.014	1.511	1.226
H9	-1.565	0.785	-1.303
H10	-2.236	1.151	0.304
H11	-1.850	-1.486	-0.515
H12	-1.537	-1.015	1.183

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5233	2.3999	2.3168	1.3705	1.2069	2.1585	2.1312	2.8889	3.3431	3.1578	2.8804
C2	1.5233		1.5315	2.3791	2.3604	2.4639	1.0941	1.0997	2.1719	2.2151	3.3238	2.8714
C3	2.3999	1.5315		1.5343	2.3757	3.5698	2.2299	2.1956	1.0974	1.0958	2.2205	2.1985
C4	2.3168	2.3791	1.5343		1.4503	3.4655	3.3323	2.8769	2.1710	2.1959	1.0943	1.0992
O5	1.3705	2.3604	2.3757	1.4503		2.2578	3.2094	2.9427	2.8515	3.3084	2.0593	2.0734
O6	1.2069	2.4639	3.5698	3.4655	2.2578		2.7356	2.8933	3.9449	4.5019	4.2262	3.9636
H7	2.1585	1.0941	2.2299	3.3323	3.2094	2.7356		1.7752	2.4413	2.8252	4.1522	3.9348
H8	2.1312	1.0997	2.1956	2.8769	2.9427	2.8933	1.7752		3.0684	2.4576	3.9352	2.9641
H9	2.8889	2.1719	1.0974	2.1710	2.8515	3.9449	2.4413	3.0684		1.7797	2.4207	3.0692
H10	3.3431	2.2151	1.0958	2.1959	3.3084	4.5019	2.8252	2.4576	1.7797		2.7883	2.4395
H11	3.1578	3.3238	2.2205	1.0943	2.0593	4.2262	4.1522	3.9352	2.4207	2.7883		1.7897
H12	2.8804	2.8714	2.1985	1.0992	2.0734	3.9636	3.9348	2.9641	3.0692	2.4395	1.7897

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.560	C1	C2	H7	110.030
C1	C2	H8	107.582	C1	O5	C4	110.400
C2	C1	O5	109.195	C2	C1	O6	128.603
C2	C3	C4	101.799	C2	C3	H9	110.325
C2	C3	H10	113.916	C3	C2	H7	115.260
C3	C2	H8	112.078	C3	C4	O5	105.460
C3	C4	H11	114.253	C3	C4	H12	112.138
C4	C3	H9	110.054	C4	C3	H10	112.139
O5	C1	O6	122.202	O5	C4	H11	107.225
O5	C4	H12	108.039	H7	C2	H8	108.033
H9	C3	H10	108.482	H11	C4	H12	109.364

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

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

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-pVDZ

States and conformations

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