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	hartrees
Energy at 0K	-267.770759
Energy at 298.15K	-267.777902
HF Energy	-266.861924
Nuclear repulsion energy	176.180726

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3120	3027
2	A'	3081	2989
3	A'	3060	2969
4	A'	3036	2945
5	A'	1744	1692
6	A'	1497	1453
7	A'	1480	1436
8	A'	1412	1370
9	A'	1375	1334
10	A'	1371	1330
11	A'	1187	1152
12	A'	1127	1093
13	A'	1036	1005
14	A'	848	822
15	A'	771	748
16	A'	374	363
17	A'	227	220
18	A"	3131	3038
19	A"	3107	3014
20	A"	1469	1425
21	A"	1281	1243
22	A"	1168	1133
23	A"	1020	989
24	A"	802	779
25	A"	336	326
26	A"	233	226
27	A"	67	65

Atom	x (Å)	y (Å)	z (Å)
C1	-2.190	-0.260	0.000
C2	-0.698	-0.565	0.000
O3	0.000	0.720	0.000
C4	1.350	0.621	0.000
O5	1.989	-0.416	0.000
H6	-2.758	-1.207	0.000
H7	-2.470	0.318	0.897
H8	-2.470	0.318	-0.897
H9	-0.386	-1.131	-0.894
H10	-0.386	-1.131	0.894
H11	1.793	1.635	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5226	2.3994	3.6484	4.1816	1.1040	1.1030	1.1030	2.1934	2.1934	4.4109
C2	1.5226		1.4624	2.3671	2.6911	2.1571	2.1734	2.1734	1.1030	1.1030	3.3236
O3	2.3994	1.4624		1.3539	2.2901	3.3643	2.6587	2.6587	2.0913	2.0913	2.0129
C4	3.6484	2.3671	1.3539		1.2177	4.4963	3.9362	3.9362	2.6237	2.6237	1.1064
O5	4.1816	2.6911	2.2901	1.2177		4.8117	4.6071	4.6071	2.6362	2.6362	2.0604
H6	1.1040	2.1571	3.3643	4.4963	4.8117		1.7922	1.7922	2.5354	2.5354	5.3652
H7	1.1030	2.1734	2.6587	3.9362	4.6071	1.7922		1.7932	3.1062	2.5384	4.5513
H8	1.1030	2.1734	2.6587	3.9362	4.6071	1.7922	1.7932		2.5384	3.1062	4.5513
H9	2.1934	1.1030	2.0913	2.6237	2.6362	2.5354	3.1062	2.5384		1.7875	3.6329
H10	2.1934	1.1030	2.0913	2.6237	2.6362	2.5354	2.5384	3.1062	1.7875		3.6329
H11	4.4109	3.3236	2.0129	1.1064	2.0604	5.3652	4.5513	4.5513	3.6329	3.6329

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.982	C1	C2	H9	112.334
C1	C2	H10	112.334	C2	C1	H6	109.387
C2	C1	H7	110.726	C2	C1	H8	110.726
C2	O3	C4	114.339	O3	C2	H9	108.405
O3	C2	H10	108.405	O3	C4	O5	125.804
O3	C4	H11	109.388	O5	C4	H11	124.809
H6	C1	H7	108.595	H6	C1	H8	108.595
H7	C1	H8	108.756	H9	C2	H10	108.245

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

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

States and conformations

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