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	hartrees
Energy at 0K	-305.658200
Energy at 298.15K
HF Energy	-304.719339
Nuclear repulsion energy	240.634481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3220	3035	10.25
2	A	3214	3029	21.19
3	A	3200	3015	14.70
4	A	3140	2959	19.99
5	A	3134	2953	6.05
6	A	3129	2948	39.20
7	A	1912	1802	424.79
8	A	1582	1491	0.50
9	A	1551	1461	5.57
10	A	1521	1433	7.26
11	A	1444	1360	24.39
12	A	1390	1310	3.15
13	A	1356	1278	17.37
14	A	1292	1218	18.17
15	A	1256	1184	27.39
16	A	1229	1158	144.82
17	A	1226	1155	77.25
18	A	1130	1065	13.16
19	A	1110	1046	66.59
20	A	1037	977	16.94
21	A	966	910	5.64
22	A	923	870	9.90
23	A	905	853	18.49
24	A	832	784	6.49
25	A	693	653	5.37
26	A	654	616	3.83
27	A	541	509	5.09
28	A	497	468	4.22
29	A	219	206	3.31
30	A	149	140	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.883	-0.005	0.005
C2	-0.025	1.203	0.179
C3	-1.395	0.669	-0.235
C4	-1.273	-0.812	0.137
O5	0.122	-1.135	-0.049
O6	2.085	-0.029	-0.074
H7	0.346	2.039	-0.410
H8	0.001	1.492	1.233
H9	-1.536	0.774	-1.311
H10	-2.229	1.154	0.270
H11	-1.848	-1.482	-0.496
H12	-1.532	-0.994	1.183

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5214	2.3881	2.3059	1.3638	1.2041	2.1532	2.1279	2.8619	3.3321	3.1452	2.8634
C2	1.5214		1.5283	2.3706	2.3543	2.4562	1.0872	1.0929	2.1655	2.2072	3.3152	2.8473
C3	2.3881	1.5283		1.5313	2.3648	3.5528	2.2228	2.1860	1.0911	1.0889	2.2131	2.1889
C4	2.3059	2.3706	1.5313		1.4441	3.4538	3.3234	2.8508	2.1637	2.1903	1.0871	1.0922
O5	1.3638	2.3543	2.3648	1.4441		2.2527	3.2023	2.9256	2.8263	3.2975	2.0500	2.0670
O6	1.2041	2.4562	3.5528	3.4538	2.2527		2.7223	2.8925	3.9093	4.4866	4.2134	3.9484
H7	2.1532	1.0872	2.2228	3.3234	3.2023	2.7223		1.7655	2.4403	2.8068	4.1492	3.9064
H8	2.1279	1.0929	2.1860	2.8508	2.9256	2.8925	1.7655		3.0576	2.4523	3.9051	2.9206
H9	2.8619	2.1655	1.0911	2.1637	2.8263	3.9093	2.4403	3.0576		1.7680	2.4183	3.0569
H10	3.3321	2.2072	1.0889	2.1903	3.2975	4.4866	2.8068	2.4523	1.7680		2.7714	2.4360
H11	3.1452	3.3152	2.2131	1.0871	2.0500	4.2134	4.1492	3.9051	2.4183	2.7714		1.7770
H12	2.8634	2.8473	2.1889	1.0922	2.0670	3.9484	3.9064	2.9206	3.0569	2.4360	1.7770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.086	C1	C2	H7	110.152
C1	C2	H8	107.841	C1	O5	C4	110.379
C2	C1	O5	109.254	C2	C1	O6	128.248
C2	C3	C4	101.581	C2	C3	H9	110.418
C2	C3	H10	113.940	C3	C2	H7	115.358
C3	C2	H8	111.951	C3	C4	O5	105.231
C3	C4	H11	114.326	C3	C4	H12	112.006
C4	C3	H9	110.062	C4	C3	H10	112.328
O5	C1	O6	122.497	O5	C4	H11	107.331
O5	C4	H12	108.371	H7	C2	H8	108.156
H9	C3	H10	108.389	H11	C4	H12	109.247

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

using model chemistry: CCD/6-31+G**

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/6-31+G**

States and conformations

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