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	hartrees
Energy at 0K	-305.763324
Energy at 298.15K
HF Energy	-304.779190
Nuclear repulsion energy	241.263359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3176	3034	11.30
2	A	3166	3024	26.84
3	A	3157	3015	14.38
4	A	3097	2958	20.46
5	A	3091	2952	5.71
6	A	3079	2941	41.28
7	A	1941	1854	389.03
8	A	1559	1489	0.76
9	A	1526	1458	6.94
10	A	1494	1427	8.32
11	A	1440	1376	21.75
12	A	1377	1316	3.42
13	A	1341	1280	20.54
14	A	1295	1236	16.53
15	A	1248	1192	41.35
16	A	1227	1172	4.55
17	A	1218	1164	192.24
18	A	1129	1078	64.33
19	A	1115	1065	16.64
20	A	1030	984	11.33
21	A	962	919	3.63
22	A	919	878	12.09
23	A	900	860	14.38
24	A	829	792	5.28
25	A	696	665	5.79
26	A	647	618	3.41
27	A	539	515	3.79
28	A	503	480	4.51
29	A	228	218	2.85
30	A	152	145	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.883	-0.005	0.005
C2	-0.031	1.204	0.185
C3	-1.395	0.663	-0.245
C4	-1.257	-0.814	0.146
O5	0.126	-1.132	-0.054
O6	2.072	-0.024	-0.076
H7	0.344	2.051	-0.392
H8	-0.019	1.476	1.247
H9	-1.512	0.751	-1.330
H10	-2.244	1.148	0.242
H11	-1.847	-1.494	-0.471
H12	-1.507	-0.973	1.202

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5260	2.3873	2.2928	1.3595	1.1914	2.1616	2.1334	2.8449	3.3417	3.1468	2.8440
C2	1.5260		1.5296	2.3620	2.3532	2.4490	1.0909	1.0969	2.1671	2.2152	3.3183	2.8207
C3	2.3873	1.5296		1.5341	2.3600	3.5384	2.2301	2.1867	1.0951	1.0926	2.2155	2.1871
C4	2.2928	2.3620	1.5341		1.4327	3.4286	3.3259	2.8267	2.1668	2.1983	1.0912	1.0968
O5	1.3595	2.3532	2.3600	1.4327		2.2394	3.2080	2.9180	2.8033	3.3016	2.0488	2.0661
O6	1.1914	2.4490	3.5384	3.4286	2.2394		2.7186	2.8940	3.8759	4.4838	4.2044	3.9173
H7	2.1616	1.0909	2.2301	3.3259	3.2080	2.7186		1.7747	2.4530	2.8139	4.1686	3.8877
H8	2.1334	1.0969	2.1867	2.8267	2.9180	2.8940	1.7747		3.0659	2.4637	3.8878	2.8664
H9	2.8449	2.1671	1.0951	2.1668	2.8033	3.8759	2.4530	3.0659		1.7790	2.4278	3.0637
H10	3.3417	2.2152	1.0926	2.1983	3.3016	4.4838	2.8139	2.4637	1.7790		2.7649	2.4420
H11	3.1468	3.3183	2.2155	1.0912	2.0488	4.2044	4.1686	3.8878	2.4278	2.7649		1.7841
H12	2.8440	2.8207	2.1871	1.0968	2.0661	3.9173	3.8877	2.8664	3.0637	2.4420	1.7841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.758	C1	C2	H7	110.276
C1	C2	H8	107.729	C1	O5	C4	110.372
C2	C1	O5	109.143	C2	C1	O6	128.215
C2	C3	C4	100.884	C2	C3	H9	110.219
C2	C3	H10	114.270	C3	C2	H7	115.635
C3	C2	H8	111.671	C3	C4	O5	105.350
C3	C4	H11	114.045	C3	C4	H12	111.384
C4	C3	H9	109.879	C4	C3	H10	112.553
O5	C1	O6	122.641	O5	C4	H11	107.769
O5	C4	H12	108.804	H7	C2	H8	108.426
H9	C3	H10	108.822	H11	C4	H12	109.252

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

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

States and conformations

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