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	hartrees
Energy at 0K	-267.706270
Energy at 298.15K	-267.713474
HF Energy	-266.845843
Nuclear repulsion energy	176.902821

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3151	3035
2	A'	3074	2961
3	A'	3072	2959
4	A'	3061	2948
5	A'	1817	1750
6	A'	1512	1457
7	A'	1491	1436
8	A'	1430	1377
9	A'	1399	1347
10	A'	1384	1333
11	A'	1223	1178
12	A'	1139	1097
13	A'	1056	1018
14	A'	870	838
15	A'	790	761
16	A'	382	368
17	A'	233	225
18	A"	3159	3043
19	A"	3122	3007
20	A"	1478	1423
21	A"	1293	1245
22	A"	1181	1138
23	A"	1040	1002
24	A"	807	778
25	A"	345	332
26	A"	243	234
27	A"	65	63

Atom	x (Å)	y (Å)	z (Å)
C1	-2.181	-0.256	0.000
C2	-0.691	-0.558	0.000
O3	0.000	0.716	0.000
C4	1.345	0.614	0.000
O5	1.978	-0.418	0.000
H6	-2.755	-1.200	0.000
H7	-2.460	0.325	0.896
H8	-2.460	0.325	-0.896
H9	-0.385	-1.134	-0.892
H10	-0.385	-1.134	0.892
H11	1.783	1.634	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5201	2.3878	3.6318	4.1619	1.1048	1.1040	1.1040	2.1892	2.1892	4.3915
C2	1.5201		1.4496	2.3494	2.6726	2.1617	2.1704	2.1704	1.1051	1.1051	3.3057
O3	2.3878	1.4496		1.3491	2.2799	3.3560	2.6467	2.6467	2.0899	2.0899	2.0054
C4	3.6318	2.3494	1.3491		1.2102	4.4837	3.9195	3.9195	2.6161	2.6161	1.1106
O5	4.1619	2.6726	2.2799	1.2102		4.7973	4.5875	4.5875	2.6250	2.6250	2.0616
H6	1.1048	2.1617	3.3560	4.4837	4.7973		1.7936	1.7936	2.5335	2.5335	5.3505
H7	1.1040	2.1704	2.6467	3.9195	4.5875	1.7936		1.7925	3.1035	2.5367	4.5293
H8	1.1040	2.1704	2.6467	3.9195	4.5875	1.7936	1.7925		2.5367	3.1035	4.5293
H9	2.1892	1.1051	2.0899	2.6161	2.6250	2.5335	3.1035	2.5367		1.7834	3.6277
H10	2.1892	1.1051	2.0899	2.6161	2.6250	2.5335	2.5367	3.1035	1.7834		3.6277
H11	4.3915	3.3057	2.0054	1.1106	2.0616	5.3505	4.5293	4.5293	3.6277	3.6277

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.019	C1	C2	H9	112.043
C1	C2	H10	112.043	C2	C1	H6	109.868
C2	C1	H7	110.604	C2	C1	H8	110.604
C2	O3	C4	114.121	O3	C2	H9	109.042
O3	C2	H10	109.042	O3	C4	O5	125.872
O3	C4	H11	108.852	O5	C4	H11	125.275
H6	C1	H7	108.582	H6	C1	H8	108.582
H7	C1	H8	108.542	H9	C2	H10	107.595

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

using model chemistry: CCSD(T)=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

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