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	hartrees
Energy at 0K	-305.673661
Energy at 298.15K
HF Energy	-304.723483
Nuclear repulsion energy	239.873183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3173	3044	8.81
2	A	3158	3030	28.52
3	A	3150	3022	15.84
4	A	3089	2964	17.91
5	A	3085	2960	8.74
6	A	3066	2942	46.42
7	A	1903	1825	358.99
8	A	1527	1465	0.43
9	A	1496	1435	6.40
10	A	1465	1405	7.72
11	A	1412	1355	25.58
12	A	1357	1302	5.68
13	A	1321	1268	22.34
14	A	1268	1217	11.47
15	A	1230	1180	33.26
16	A	1204	1155	22.38
17	A	1199	1150	148.41
18	A	1106	1061	49.46
19	A	1096	1052	33.53
20	A	1017	976	13.93
21	A	956	917	3.74
22	A	905	868	12.81
23	A	888	852	14.74
24	A	819	786	5.21
25	A	686	658	5.03
26	A	638	612	3.20
27	A	532	511	3.26
28	A	493	473	4.01
29	A	229	220	2.54
30	A	153	146	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.887	-0.002	0.006
C2	-0.033	1.208	0.189
C3	-1.398	0.666	-0.250
C4	-1.265	-0.815	0.144
O5	0.125	-1.140	-0.050
O6	2.086	-0.025	-0.080
H7	0.347	2.068	-0.383
H8	-0.025	1.478	1.262
H9	-1.510	0.755	-1.345
H10	-2.259	1.156	0.232
H11	-1.862	-1.501	-0.477
H12	-1.525	-0.976	1.208

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5313	2.3941	2.3041	1.3700	1.2024	2.1748	2.1452	2.8539	3.3605	3.1674	2.8655
C2	1.5313		1.5331	2.3692	2.3652	2.4663	1.1003	1.1065	2.1779	2.2278	3.3358	2.8350
C3	2.3941	1.5331		1.5378	2.3702	3.5558	2.2420	2.1975	1.1050	1.1021	2.2273	2.1993
C4	2.3041	2.3692	1.5378		1.4402	3.4499	3.3443	2.8359	2.1775	2.2093	1.1010	1.1071
O5	1.3700	2.3652	2.3702	1.4402		2.2559	3.2324	2.9316	2.8178	3.3217	2.0636	2.0809
O6	1.2024	2.4663	3.5558	3.4499	2.2559		2.7384	2.9186	3.8913	4.5139	4.2330	3.9500
H7	2.1748	1.1003	2.2420	3.3443	3.2324	2.7384		1.7874	2.4693	2.8287	4.1976	3.9118
H8	2.1452	1.1065	2.1975	2.8359	2.9316	2.9186	1.7874		3.0866	2.4813	3.9074	2.8765
H9	2.8539	2.1779	1.1050	2.1775	2.8178	3.8913	2.4693	3.0866		1.7917	2.4423	3.0847
H10	3.3605	2.2278	1.1021	2.2093	3.3217	4.5139	2.8287	2.4813	1.7917		2.7783	2.4573
H11	3.1674	3.3358	2.2273	1.1010	2.0636	4.2330	4.1976	3.9074	2.4423	2.7783		1.7964
H12	2.8655	2.8350	2.1993	1.1071	2.0809	3.9500	3.9118	2.8765	3.0847	2.4573	1.7964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.750	C1	C2	H7	110.391
C1	C2	H8	107.741	C1	O5	C4	110.127
C2	C1	O5	109.089	C2	C1	O6	128.490
C2	C3	C4	100.976	C2	C3	H9	110.235
C2	C3	H10	114.441	C3	C2	H7	115.750
C3	C2	H8	111.692	C3	C4	O5	105.435
C3	C4	H11	114.120	C3	C4	H12	111.475
C4	C3	H9	109.880	C4	C3	H10	112.583
O5	C1	O6	122.421	O5	C4	H11	107.853
O5	C4	H12	108.856	H7	C2	H8	108.187
H9	C3	H10	108.539	H11	C4	H12	108.885

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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