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	hartrees
Energy at 0K	-306.219723
Energy at 298.15K
HF Energy	-305.908657
Nuclear repulsion energy	240.168419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3184	3184	12.66
2	A	3180	3180	17.08
3	A	3163	3163	14.87
4	A	3107	3107	21.76
5	A	3098	3098	6.98
6	A	3095	3095	38.63
7	A	1842	1842	408.18
8	A	1553	1553	0.41
9	A	1526	1526	6.27
10	A	1493	1493	8.37
11	A	1413	1413	16.98
12	A	1365	1365	1.57
13	A	1327	1327	9.18
14	A	1273	1273	9.61
15	A	1234	1234	12.62
16	A	1210	1210	5.60
17	A	1183	1183	221.68
18	A	1111	1111	9.30
19	A	1068	1068	69.06
20	A	1017	1017	28.92
21	A	948	948	5.75
22	A	907	907	9.99
23	A	887	887	21.43
24	A	813	813	6.07
25	A	679	679	4.08
26	A	643	643	4.58
27	A	534	534	4.09
28	A	485	485	3.14
29	A	214	214	2.82
30	A	151	151	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.886	-0.003	0.004
C2	-0.025	1.204	0.173
C3	-1.400	0.670	-0.227
C4	-1.277	-0.814	0.134
O5	0.123	-1.136	-0.048
O6	2.091	-0.030	-0.072
H7	0.341	2.037	-0.424
H8	0.010	1.504	1.225
H9	-1.555	0.783	-1.302
H10	-2.230	1.152	0.290
H11	-1.848	-1.481	-0.509
H12	-1.536	-1.008	1.178

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5219	2.3944	2.3133	1.3674	1.2081	2.1543	2.1283	2.8773	3.3355	3.1499	2.8733
C2	1.5219		1.5285	2.3751	2.3559	2.4624	1.0884	1.0941	2.1659	2.2085	3.3164	2.8614
C3	2.3944	1.5285		1.5321	2.3697	3.5646	2.2230	2.1888	1.0919	1.0900	2.2151	2.1924
C4	2.3133	2.3751	1.5321		1.4477	3.4642	3.3253	2.8668	2.1653	2.1908	1.0882	1.0931
O5	1.3674	2.3559	2.3697	1.4477		2.2582	3.2031	2.9336	2.8408	3.2998	2.0531	2.0670
O6	1.2081	2.4624	3.5646	3.4642	2.2582		2.7311	2.8928	3.9329	4.4948	4.2208	3.9596
H7	2.1543	1.0884	2.2230	3.3253	3.2031	2.7311		1.7645	2.4365	2.8117	4.1445	3.9198
H8	2.1283	1.0941	2.1888	2.8668	2.9336	2.8928	1.7645		3.0577	2.4522	3.9201	2.9503
H9	2.8773	2.1659	1.0919	2.1653	2.8408	3.9329	2.4365	3.0577		1.7683	2.4170	3.0588
H10	3.3355	2.2085	1.0900	2.1908	3.2998	4.4948	2.8117	2.4522	1.7683		2.7782	2.4363
H11	3.1499	3.3164	2.2151	1.0882	2.0531	4.2208	4.1445	3.9201	2.4170	2.7782		1.7789
H12	2.8733	2.8614	2.1924	1.0931	2.0670	3.9596	3.9198	2.9503	3.0588	2.4363	1.7789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.429	C1	C2	H7	110.125
C1	C2	H8	107.768	C1	O5	C4	110.489
C2	C1	O5	109.130	C2	C1	O6	128.470
C2	C3	C4	101.796	C2	C3	H9	110.385
C2	C3	H10	113.955	C3	C2	H7	115.275
C3	C2	H8	112.082	C3	C4	O5	105.321
C3	C4	H11	114.362	C3	C4	H12	112.178
C4	C3	H9	110.087	C4	C3	H10	112.234
O5	C1	O6	122.399	O5	C4	H11	107.268
O5	C4	H12	108.071	H7	C2	H8	107.889
H9	C3	H10	108.276	H11	C4	H12	109.277

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-31+G**

States and conformations

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