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	hartrees
Energy at 0K	-305.727988
Energy at 298.15K
HF Energy	-304.769896
Nuclear repulsion energy	240.947251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3153	3006	12.76
2	A	3145	2999	27.02
3	A	3132	2986	15.97
4	A	3076	2933	21.46
5	A	3069	2926	6.87
6	A	3060	2918	41.40
7	A	1912	1823	382.47
8	A	1564	1491	0.55
9	A	1535	1464	8.20
10	A	1506	1436	9.91
11	A	1431	1364	18.54
12	A	1374	1310	1.55
13	A	1339	1277	16.85
14	A	1289	1229	15.36
15	A	1249	1191	27.78
16	A	1225	1168	2.67
17	A	1214	1157	205.33
18	A	1124	1072	21.84
19	A	1109	1057	60.93
20	A	1029	981	15.14
21	A	961	917	3.67
22	A	916	874	10.12
23	A	898	856	16.01
24	A	826	787	5.78
25	A	692	660	5.70
26	A	647	616	3.78
27	A	539	514	3.46
28	A	499	475	4.24
29	A	228	217	3.09
30	A	151	144	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.884	-0.004	0.005
C2	-0.031	1.204	0.182
C3	-1.397	0.663	-0.242
C4	-1.261	-0.814	0.144
O5	0.126	-1.134	-0.054
O6	2.076	-0.024	-0.074
H7	0.345	2.049	-0.399
H8	-0.014	1.488	1.243
H9	-1.524	0.757	-1.326
H10	-2.244	1.150	0.250
H11	-1.847	-1.496	-0.475
H12	-1.511	-0.981	1.200

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5258	2.3891	2.2966	1.3614	1.1951	2.1610	2.1367	2.8547	3.3435	3.1487	2.8495
C2	1.5258		1.5289	2.3632	2.3546	2.4523	1.0922	1.0982	2.1690	2.2153	3.3198	2.8288
C3	2.3891	1.5289		1.5328	2.3628	3.5443	2.2307	2.1898	1.0963	1.0941	2.2183	2.1902
C4	2.2966	2.3632	1.5328		1.4369	3.4361	3.3267	2.8385	2.1683	2.1986	1.0923	1.0979
O5	1.3614	2.3546	2.3628	1.4369		2.2439	3.2086	2.9279	2.8136	3.3052	2.0497	2.0678
O6	1.1951	2.4523	3.5443	3.4361	2.2439		2.7208	2.8966	3.8910	4.4891	4.2095	3.9254
H7	2.1610	1.0922	2.2307	3.3267	3.2086	2.7208		1.7720	2.4533	2.8164	4.1685	3.8965
H8	2.1367	1.0982	2.1898	2.8385	2.9279	2.8966	1.7720		3.0683	2.4646	3.9005	2.8875
H9	2.8547	2.1690	1.0963	2.1683	2.8136	3.8910	2.4533	3.0683		1.7774	2.4307	3.0671
H10	3.3435	2.2153	1.0941	2.1986	3.3052	4.4891	2.8164	2.4646	1.7774		2.7721	2.4458
H11	3.1487	3.3198	2.2183	1.0923	2.0497	4.2095	4.1685	3.9005	2.4307	2.7721		1.7845
H12	2.8495	2.8288	2.1902	1.0979	2.0678	3.9254	3.8965	2.8875	3.0671	2.4458	1.7845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.911	C1	C2	H7	110.166
C1	C2	H8	107.928	C1	O5	C4	110.289
C2	C1	O5	109.149	C2	C1	O6	128.247
C2	C3	C4	101.048	C2	C3	H9	110.341
C2	C3	H10	114.230	C3	C2	H7	115.655
C3	C2	H8	111.885	C3	C4	O5	105.385
C3	C4	H11	114.306	C3	C4	H12	111.659
C4	C3	H9	110.011	C4	C3	H10	112.574
O5	C1	O6	122.604	O5	C4	H11	107.492
O5	C4	H12	108.593	H7	C2	H8	107.997
H9	C3	H10	108.474	H11	C4	H12	109.128

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

using model chemistry: CCSD/6-311G*

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: CCSD/6-311G*

States and conformations

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