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	hartrees
Energy at 0K	-267.657477
Energy at 298.15K	-267.664782
HF Energy	-266.837302
Nuclear repulsion energy	178.202646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3241	3241	20.50
2	A'	3182	3182	55.62
3	A'	3165	3165	17.84
4	A'	3152	3152	13.40
5	A'	1902	1902	292.41
6	A'	1589	1589	5.55
7	A'	1566	1566	2.09
8	A'	1496	1496	17.21
9	A'	1467	1467	3.62
10	A'	1449	1449	4.14
11	A'	1289	1289	431.17
12	A'	1181	1181	8.75
13	A'	1088	1088	13.70
14	A'	905	905	11.95
15	A'	815	815	5.00
16	A'	395	395	6.47
17	A'	239	239	7.50
18	A"	3250	3250	31.23
19	A"	3215	3215	11.71
20	A"	1555	1555	4.30
21	A"	1344	1344	1.01
22	A"	1230	1230	5.16
23	A"	1081	1081	0.78
24	A"	839	839	0.11
25	A"	350	350	23.27
26	A"	250	250	3.17
27	A"	74	74	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	-2.170	-0.261	0.000
C2	-0.690	-0.562	0.000
O3	0.000	0.704	0.000
C4	1.335	0.618	0.000
O5	1.973	-0.401	0.000
H6	-2.735	-1.190	0.000
H7	-2.444	0.312	0.882
H8	-2.444	0.312	-0.882
H9	-0.388	-1.127	-0.879
H10	-0.388	-1.127	0.879
H11	1.766	1.621	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5109	2.3750	3.6135	4.1460	1.0872	1.0863	1.0863	2.1680	2.1680	4.3627
C2	1.5109		1.4415	2.3433	2.6679	2.1395	2.1486	2.1486	1.0876	1.0876	3.2855
O3	2.3750	1.4415		1.3373	2.2617	3.3266	2.6275	2.6275	2.0677	2.0677	1.9897
C4	3.6135	2.3433	1.3373		1.2032	4.4533	3.8920	3.8920	2.6049	2.6049	1.0915
O5	4.1460	2.6679	2.2617	1.2032		4.7739	4.5602	4.5602	2.6217	2.6217	2.0331
H6	1.0872	2.1395	3.3266	4.4533	4.7739		1.7653	1.7653	2.5071	2.5071	5.3063
H7	1.0863	2.1486	2.6275	3.8920	4.5602	1.7653		1.7642	3.0653	2.5093	4.4958
H8	1.0863	2.1486	2.6275	3.8920	4.5602	1.7653	1.7642		2.5093	3.0653	4.4958
H9	2.1680	1.0876	2.0677	2.6049	2.6217	2.5071	3.0653	2.5093		1.7571	3.6003
H10	2.1680	1.0876	2.0677	2.6049	2.6217	2.5071	2.5093	3.0653	1.7571		3.6003
H11	4.3627	3.2855	1.9897	1.0915	2.0331	5.3063	4.4958	4.4958	3.6003	3.6003

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.093	C1	C2	H9	112.071
C1	C2	H10	112.071	C2	C1	H6	109.798
C2	C1	H7	110.582	C2	C1	H8	110.582
C2	O3	C4	114.924	O3	C2	H9	108.881
O3	C2	H10	108.881	O3	C4	O5	125.727
O3	C4	H11	109.595	O5	C4	H11	124.678
H6	C1	H7	108.619	H6	C1	H8	108.619
H7	C1	H8	108.587	H9	C2	H10	107.769

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

using model chemistry: MP3=FULL/6-31G**

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: MP3=FULL/6-31G**

States and conformations

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