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	hartrees
Energy at 0K	-267.906845
Energy at 298.15K	-267.914027
HF Energy	-266.920493
Nuclear repulsion energy	177.533297

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3136	2998
2	A'	3088	2952
3	A'	3076	2941
4	A'	3057	2922
5	A'	1790	1711
6	A'	1535	1468
7	A'	1516	1449
8	A'	1454	1390
9	A'	1435	1372
10	A'	1416	1353
11	A'	1224	1170
12	A'	1150	1099
13	A'	1051	1004
14	A'	874	836
15	A'	794	759
16	A'	386	369
17	A'	234	224
18	A"	3149	3011
19	A"	3121	2983
20	A"	1496	1430
21	A"	1308	1251
22	A"	1200	1147
23	A"	1034	989
24	A"	824	788
25	A"	334	319
26	A"	234	224
27	A"	55	52

Atom	x (Å)	y (Å)	z (Å)
C1	-2.178	-0.267	0.000
C2	-0.693	-0.563	0.000
O3	0.000	0.709	0.000
C4	1.340	0.621	0.000
O5	1.981	-0.400	0.000
H6	-2.737	-1.205	0.000
H7	-2.456	0.304	0.888
H8	-2.456	0.304	-0.888
H9	-0.390	-1.128	-0.884
H10	-0.390	-1.128	0.884
H11	1.769	1.630	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5137	2.3863	3.6282	4.1612	1.0928	1.0915	1.0915	2.1722	2.1722	4.3786
C2	1.5137		1.4484	2.3532	2.6797	2.1423	2.1556	2.1556	1.0921	1.0921	3.2971
O3	2.3863	1.4484		1.3428	2.2703	3.3400	2.6430	2.6430	2.0753	2.0753	1.9942
C4	3.6282	2.3532	1.3428		1.2060	4.4677	3.9116	3.9116	2.6144	2.6144	1.0959
O5	4.1612	2.6797	2.2703	1.2060		4.7866	4.5798	4.5798	2.6336	2.6336	2.0411
H6	1.0928	2.1423	3.3400	4.4677	4.7866		1.7735	1.7735	2.5090	2.5090	5.3237
H7	1.0915	2.1556	2.6430	3.9116	4.5798	1.7735		1.7759	3.0753	2.5134	4.5163
H8	1.0915	2.1556	2.6430	3.9116	4.5798	1.7735	1.7759		2.5134	3.0753	4.5163
H9	2.1722	1.0921	2.0753	2.6144	2.6336	2.5090	3.0753	2.5134		1.7682	3.6122
H10	2.1722	1.0921	2.0753	2.6144	2.6336	2.5090	2.5134	3.0753	1.7682		3.6122
H11	4.3786	3.2971	1.9942	1.0959	2.0411	5.3237	4.5163	4.5163	3.6122	3.6122

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.322	C1	C2	H9	111.928
C1	C2	H10	111.928	C2	C1	H6	109.496
C2	C1	H7	110.632	C2	C1	H8	110.632
C2	O3	C4	114.880	O3	C2	H9	108.737
O3	C2	H10	108.737	O3	C4	O5	125.850
O3	C4	H11	109.298	O5	C4	H11	124.851
H6	C1	H7	108.572	H6	C1	H8	108.572
H7	C1	H8	108.883	H9	C2	H10	108.105

All results from a given calculation for HCOOC₂H₅ (Ethyl formate)

using model chemistry: CCSD(T)=FULL/TZVP

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 HCOOC2H5 (Ethyl formate)

using model chemistry: CCSD(T)=FULL/TZVP

States and conformations

All results from a given calculation for HCOOC₂H₅ (Ethyl formate)