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	hartrees
Energy at 0K	-306.394954
Energy at 298.15K
HF Energy	-306.002461
Nuclear repulsion energy	241.279929

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3157	3018	7.85
2	A	3148	3009	23.45
3	A	3137	2998	15.61
4	A	3088	2951	20.89
5	A	3076	2940	5.87
6	A	3068	2932	37.37
7	A	1853	1771	372.78
8	A	1545	1476	0.66
9	A	1515	1448	5.81
10	A	1482	1417	8.07
11	A	1408	1346	15.02
12	A	1356	1296	1.32
13	A	1318	1260	7.29
14	A	1275	1218	7.91
15	A	1230	1175	11.57
16	A	1209	1156	3.45
17	A	1176	1124	208.77
18	A	1106	1057	10.11
19	A	1069	1021	74.30
20	A	1016	971	21.32
21	A	947	905	4.51
22	A	903	863	10.20
23	A	883	844	20.78
24	A	811	775	4.88
25	A	685	655	4.23
26	A	642	614	3.93
27	A	536	512	3.08
28	A	492	470	3.04
29	A	213	203	2.09
30	A	152	145	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.885	-0.002	0.004
C2	-0.026	1.200	0.173
C3	-1.396	0.667	-0.226
C4	-1.268	-0.812	0.133
O5	0.124	-1.132	-0.047
O6	2.079	-0.029	-0.072
H7	0.339	2.032	-0.418
H8	0.008	1.494	1.222
H9	-1.546	0.777	-1.298
H10	-2.224	1.145	0.286
H11	-1.842	-1.473	-0.507
H12	-1.532	-1.003	1.172

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5173	2.3878	2.3035	1.3628	1.1968	2.1482	2.1191	2.8657	3.3262	3.1401	2.8653
C2	1.5173		1.5233	2.3648	2.3468	2.4491	1.0840	1.0901	2.1572	2.2023	3.3025	2.8497
C3	2.3878	1.5233		1.5274	2.3617	3.5469	2.2158	2.1801	1.0877	1.0856	2.2041	2.1823
C4	2.3035	2.3648	1.5274		1.4394	3.4432	3.3129	2.8517	2.1568	2.1843	1.0844	1.0895
O5	1.3628	2.3468	2.3617	1.4394		2.2447	3.1929	2.9186	2.8285	3.2883	2.0479	2.0612
O6	1.1968	2.4491	3.5469	3.4432	2.2447		2.7191	2.8776	3.9106	4.4749	4.2011	3.9421
H7	2.1482	1.0840	2.2158	3.3129	3.1929	2.7191		1.7577	2.4293	2.8023	4.1295	3.9042
H8	2.1191	1.0901	2.1801	2.8517	2.9186	2.8776	1.7577		3.0462	2.4457	3.9007	2.9341
H9	2.8657	2.1572	1.0877	2.1568	2.8285	3.9106	2.4293	3.0462		1.7620	2.4042	3.0449
H10	3.3262	2.2023	1.0856	2.1843	3.2883	4.4749	2.8023	2.4457	1.7620		2.7628	2.4246
H11	3.1401	3.3025	2.2041	1.0844	2.0479	4.2011	4.1295	3.9007	2.4042	2.7628		1.7709
H12	2.8653	2.8497	2.1823	1.0895	2.0612	3.9421	3.9042	2.9341	3.0449	2.4246	1.7709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.492	C1	C2	H7	110.228
C1	C2	H8	107.589	C1	O5	C4	110.544
C2	C1	O5	109.022	C2	C1	O6	128.550
C2	C3	C4	101.641	C2	C3	H9	110.301
C2	C3	H10	114.112	C3	C2	H7	115.358
C3	C2	H8	111.992	C3	C4	O5	105.469
C3	C4	H11	114.040	C3	C4	H12	111.922
C4	C3	H9	109.987	C4	C3	H10	112.327
O5	C1	O6	122.427	O5	C4	H11	107.641
O5	C4	H12	108.388	H7	C2	H8	107.894
H9	C3	H10	108.344	H11	C4	H12	109.100

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

using model chemistry: B2PLYP=FULL/cc-pVTZ

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: B2PLYP=FULL/cc-pVTZ

States and conformations

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