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	hartrees
Energy at 0K	-305.643634
Energy at 298.15K
HF Energy	-304.723346
Nuclear repulsion energy	240.252890

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3207	3048	7.04
2	A	3196	3037	19.25
3	A	3187	3029	13.84
4	A	3121	2966	15.62
5	A	3112	2958	6.29
6	A	3093	2939	44.81
7	A	1879	1786	314.35
8	A	1525	1449	0.56
9	A	1491	1417	7.30
10	A	1458	1386	9.13
11	A	1405	1335	21.61
12	A	1350	1283	4.36
13	A	1312	1247	19.20
14	A	1269	1206	7.81
15	A	1226	1166	31.89
16	A	1200	1141	3.96
17	A	1184	1125	177.17
18	A	1100	1045	50.58
19	A	1090	1036	35.25
20	A	1019	969	18.32
21	A	964	916	3.15
22	A	907	862	14.36
23	A	887	843	17.31
24	A	819	779	5.94
25	A	684	650	3.71
26	A	636	605	2.78
27	A	529	502	2.21
28	A	492	468	3.18
29	A	239	227	2.51
30	A	157	149	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.884	-0.001	0.007
C2	-0.036	1.201	0.196
C3	-1.391	0.664	-0.260
C4	-1.265	-0.807	0.148
O5	0.121	-1.141	-0.050
O6	2.086	-0.024	-0.082
H7	0.349	2.068	-0.358
H8	-0.041	1.454	1.271
H9	-1.481	0.741	-1.355
H10	-2.258	1.159	0.201
H11	-1.866	-1.496	-0.459
H12	-1.518	-0.953	1.213

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5261	2.3849	2.2992	1.3728	1.2057	2.1677	2.1379	2.8284	3.3547	3.1650	2.8520
C2	1.5261		1.5266	2.3547	2.3604	2.4665	1.0977	1.1040	2.1692	2.2219	3.3250	2.8057
C3	2.3849	1.5266		1.5318	2.3637	3.5487	2.2370	2.1882	1.1019	1.0993	2.2212	2.1910
C4	2.2992	2.3547	1.5318		1.4392	3.4490	3.3349	2.8053	2.1689	2.2028	1.0983	1.1045
O5	1.3728	2.3604	2.3637	1.4392		2.2608	3.2311	2.9163	2.7949	3.3180	2.0598	2.0785
O6	1.2057	2.4665	3.5487	3.4490	2.2608		2.7329	2.9222	3.8641	4.5110	4.2348	3.9416
H7	2.1677	1.0977	2.2370	3.3349	3.2311	2.7329		1.7832	2.4703	2.8164	4.1974	3.8828
H8	2.1379	1.1040	2.1882	2.8053	2.9163	2.9222	1.7832		3.0786	2.4793	3.8768	2.8247
H9	2.8284	2.1692	1.1019	2.1689	2.7949	3.8641	2.4703	3.0786		1.7885	2.4408	3.0770
H10	3.3547	2.2219	1.0993	2.2028	3.3180	4.5110	2.8164	2.4793	1.7885		2.7635	2.4554
H11	3.1650	3.3250	2.2212	1.0983	2.0598	4.2348	4.1974	3.8768	2.4408	2.7635		1.7927
H12	2.8520	2.8057	2.1910	1.1045	2.0785	3.9416	3.8828	2.8247	3.0770	2.4554	1.7927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.750	C1	C2	H7	110.345
C1	C2	H8	107.670	C1	O5	C4	109.683
C2	C1	O5	108.913	C2	C1	O6	128.702
C2	C3	C4	100.690	C2	C3	H9	110.182
C2	C3	H10	114.614	C3	C2	H7	115.994
C3	C2	H8	111.562	C3	C4	O5	105.380
C3	C4	H11	114.230	C3	C4	H12	111.392
C4	C3	H9	109.799	C4	C3	H10	112.652
O5	C1	O6	122.385	O5	C4	H11	107.782
O5	C4	H12	108.891	H7	C2	H8	108.170
H9	C3	H10	108.680	H11	C4	H12	108.943

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

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVDZ

States and conformations

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