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	hartrees
Energy at 0K	-306.001973
Energy at 298.15K	-305.995757
HF Energy	-304.705185
Nuclear repulsion energy	243.016163

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3322	3130	40.21	86.98	0.45	0.62
2	A	3314	3123	12.47	71.31	0.63	0.77
3	A	3293	3103	25.56	89.48	0.27	0.43
4	A	3244	3057	47.07	98.46	0.21	0.34
5	A	3240	3053	26.09	70.83	0.23	0.37
6	A	3232	3046	9.25	86.47	0.20	0.33
7	A	2070	1951	532.57	9.90	0.47	0.64
8	A	1684	1587	0.75	9.23	0.68	0.81
9	A	1648	1552	5.43	10.07	0.75	0.86
10	A	1613	1519	8.00	11.45	0.75	0.86
11	A	1555	1466	39.84	2.01	0.62	0.76
12	A	1487	1401	7.36	0.53	0.68	0.81
13	A	1453	1369	21.84	1.97	0.67	0.80
14	A	1384	1304	29.50	12.64	0.75	0.85
15	A	1345	1267	51.96	9.39	0.75	0.86
16	A	1326	1249	209.54	2.56	0.65	0.79
17	A	1319	1243	5.19	0.76	0.66	0.79
18	A	1214	1144	17.50	1.38	0.74	0.85
19	A	1197	1128	93.84	2.55	0.75	0.86
20	A	1089	1026	8.25	6.55	0.73	0.84
21	A	1005	947	7.63	8.08	0.12	0.21
22	A	977	921	9.54	1.54	0.53	0.69
23	A	959	903	8.90	8.86	0.11	0.20
24	A	881	830	6.33	5.79	0.16	0.28
25	A	740	697	10.95	3.12	0.45	0.62
26	A	697	657	6.47	2.19	0.70	0.82
27	A	582	548	8.00	1.70	0.73	0.85
28	A	531	500	6.94	1.61	0.49	0.65
29	A	216	204	2.92	0.08	0.74	0.85
30	A	154	145	1.02	0.47	0.73	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.883	-0.002	0.006
C2	-0.031	1.197	0.191
C3	-1.387	0.666	-0.251
C4	-1.274	-0.803	0.144
O5	0.118	-1.139	-0.048
O6	2.089	-0.028	-0.080
H7	0.348	2.050	-0.374
H8	-0.026	1.467	1.253
H9	-1.494	0.755	-1.336
H10	-2.238	1.163	0.221
H11	-1.860	-1.484	-0.475
H12	-1.529	-0.965	1.197

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5187	2.3801	2.3044	1.3710	1.2095	2.1543	2.1307	2.8326	3.3379	3.1542	2.8566
C2	1.5187		1.5220	2.3556	2.3527	2.4630	1.0908	1.0964	2.1607	2.2078	3.3132	2.8160
C3	2.3801	1.5220		1.5261	2.3591	3.5486	2.2227	2.1807	1.0937	1.0923	2.2132	2.1855
C4	2.3044	2.3556	1.5261		1.4442	3.4579	3.3226	2.8180	2.1598	2.1912	1.0907	1.0957
O5	1.3710	2.3527	2.3591	1.4442		2.2626	3.2136	2.9160	2.8007	3.3045	2.0527	2.0717
O6	1.2095	2.4630	3.5486	3.4579	2.2626		2.7264	2.9130	3.8766	4.4977	4.2271	3.9492
H7	2.1543	1.0908	2.2227	3.3226	3.2136	2.7264		1.7687	2.4492	2.7983	4.1683	3.8831
H8	2.1307	1.0964	2.1807	2.8180	2.9160	2.9130	1.7687		3.0605	2.4597	3.8803	2.8588
H9	2.8326	2.1607	1.0937	2.1598	2.8007	3.8766	2.4492	3.0605		1.7729	2.4261	3.0612
H10	3.3379	2.2078	1.0923	2.1912	3.3045	4.4977	2.7983	2.4597	1.7729		2.7626	2.4453
H11	3.1542	3.3132	2.2132	1.0907	2.0527	4.2271	4.1683	3.8803	2.4261	2.7626		1.7817
H12	2.8566	2.8160	2.1855	1.0957	2.0717	3.9492	3.8831	2.8588	3.0612	2.4453	1.7817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.069	C1	C2	H7	110.401
C1	C2	H8	107.891	C1	O5	C4	112.038
C2	C1	O5	109.141	C2	C1	O6	127.841
C2	C3	C4	101.544	C2	C3	H9	110.438
C2	C3	H10	113.963	C3	C2	H7	115.263
C3	C2	H8	112.028	C3	C4	O5	105.226
C3	C4	H11	114.039	C3	C4	H12	112.028
C4	C3	H9	110.188	C4	C3	H10	112.445
O5	C1	O6	123.017	O5	C4	H11	107.847
O5	C4	H12	108.573	H7	C2	H8	107.925
H9	C3	H10	108.162	H11	C4	H12	108.870

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

using model chemistry: G2

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: G2

States and conformations

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