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	hartrees
Energy at 0K	-305.776411
Energy at 298.15K
HF Energy	-304.778376
Nuclear repulsion energy	240.800867

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3166	3020	11.83
2	A	3156	3011	27.99
3	A	3144	3000	15.94
4	A	3086	2945	21.74
5	A	3081	2940	6.19
6	A	3070	2929	41.92
7	A	1897	1810	369.93
8	A	1553	1482	0.54
9	A	1522	1453	6.21
10	A	1491	1423	7.59
11	A	1430	1365	17.24
12	A	1373	1310	2.50
13	A	1335	1273	16.66
14	A	1288	1229	13.35
15	A	1242	1185	23.61
16	A	1222	1165	2.97
17	A	1203	1147	198.52
18	A	1116	1065	28.08
19	A	1103	1053	53.45
20	A	1025	978	13.99
21	A	958	914	3.78
22	A	914	872	11.29
23	A	894	853	16.83
24	A	821	784	5.60
25	A	688	657	5.44
26	A	642	613	3.29
27	A	535	510	3.86
28	A	496	473	4.18
29	A	229	218	2.80
30	A	152	145	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.885	-0.004	0.005
C2	-0.032	1.205	0.186
C3	-1.396	0.664	-0.247
C4	-1.262	-0.813	0.147
O5	0.125	-1.135	-0.054
O6	2.078	-0.024	-0.076
H7	0.343	2.053	-0.390
H8	-0.022	1.475	1.249
H9	-1.510	0.751	-1.333
H10	-2.246	1.150	0.237
H11	-1.852	-1.494	-0.469
H12	-1.509	-0.970	1.204

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5275	2.3893	2.2983	1.3644	1.1964	2.1629	2.1349	2.8447	3.3452	3.1525	2.8468
C2	1.5275		1.5298	2.3636	2.3575	2.4559	1.0914	1.0974	2.1675	2.2160	3.3209	2.8199
C3	2.3893	1.5298		1.5343	2.3632	3.5455	2.2302	2.1875	1.0956	1.0933	2.2170	2.1882
C4	2.2983	2.3636	1.5343		1.4374	3.4390	3.3283	2.8267	2.1671	2.1985	1.0916	1.0972
O5	1.3644	2.3575	2.3632	1.4374		2.2475	3.2131	2.9215	2.8042	3.3063	2.0517	2.0688
O6	1.1964	2.4559	3.5455	3.4390	2.2475		2.7245	2.9009	3.8799	4.4923	4.2149	3.9249
H7	2.1629	1.0914	2.2302	3.3283	3.2131	2.7245		1.7759	2.4534	2.8133	4.1725	3.8875
H8	2.1349	1.0974	2.1875	2.8267	2.9215	2.9009	1.7759		3.0673	2.4655	3.8886	2.8629
H9	2.8447	2.1675	1.0956	2.1671	2.8042	3.8799	2.4534	3.0673		1.7802	2.4299	3.0657
H10	3.3452	2.2160	1.0933	2.1985	3.3063	4.4923	2.8133	2.4655	1.7802		2.7656	2.4444
H11	3.1525	3.3209	2.2170	1.0916	2.0517	4.2149	4.1725	3.8886	2.4299	2.7656		1.7860
H12	2.8468	2.8199	2.1882	1.0972	2.0688	3.9249	3.8875	2.8629	3.0657	2.4444	1.7860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.800	C1	C2	H7	110.245
C1	C2	H8	107.716	C1	O5	C4	110.208
C2	C1	O5	109.089	C2	C1	O6	128.326
C2	C3	C4	100.957	C2	C3	H9	110.194
C2	C3	H10	114.270	C3	C2	H7	115.596
C3	C2	H8	111.679	C3	C4	O5	105.315
C3	C4	H11	114.132	C3	C4	H12	111.434
C4	C3	H9	109.858	C4	C3	H10	112.511
O5	C1	O6	122.585	O5	C4	H11	107.661
O5	C4	H12	108.675	H7	C2	H8	108.458
H9	C3	H10	108.836	H11	C4	H12	109.361

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

using model chemistry: QCISD/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: QCISD/6-311G**

States and conformations

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