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	hartrees
Energy at 0K	-268.191360
Energy at 298.15K
HF Energy	-267.881006
Nuclear repulsion energy	177.950629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	3165	16.79
2	A'	3094	3094	11.36
3	A'	3084	3084	11.59
4	A'	3072	3072	62.15
5	A'	1811	1811	258.54
6	A'	1538	1538	7.45
7	A'	1518	1518	2.21
8	A'	1440	1440	12.26
9	A'	1415	1415	1.41
10	A'	1406	1406	4.23
11	A'	1230	1230	377.69
12	A'	1146	1146	9.32
13	A'	1050	1050	17.67
14	A'	868	868	10.53
15	A'	796	796	2.42
16	A'	381	381	5.66
17	A'	229	229	6.76
18	A"	3173	3173	26.38
19	A"	3139	3139	6.92
20	A"	1509	1509	4.82
21	A"	1310	1310	1.13
22	A"	1197	1197	4.34
23	A"	1057	1057	0.24
24	A"	817	817	0.68
25	A"	353	353	18.51
26	A"	241	241	1.88
27	A"	61	61	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	-2.173	-0.265	0.000
C2	-0.691	-0.564	0.000
O3	0.000	0.703	0.000
C4	1.334	0.619	0.000
O5	1.980	-0.394	0.000
H6	-2.739	-1.198	0.000
H7	-2.452	0.308	0.885
H8	-2.452	0.308	-0.885
H9	-0.384	-1.131	-0.881
H10	-0.384	-1.131	0.881
H11	1.752	1.635	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5120	2.3793	3.6174	4.1559	1.0912	1.0905	1.0905	2.1740	2.1740	4.3607
C2	1.5120		1.4436	2.3460	2.6772	2.1435	2.1552	2.1552	1.0913	1.0913	3.2869
O3	2.3793	1.4436		1.3368	2.2642	3.3342	2.6368	2.6368	2.0705	2.0705	1.9840
C4	3.6174	2.3460	1.3368		1.2022	4.4603	3.9010	3.9010	2.6062	2.6062	1.0977
O5	4.1559	2.6772	2.2642	1.2022		4.7874	4.5745	4.5745	2.6287	2.6287	2.0418
H6	1.0912	2.1435	3.3342	4.4603	4.7874		1.7703	1.7703	2.5149	2.5149	5.3096
H7	1.0905	2.1552	2.6368	3.9010	4.5745	1.7703		1.7696	3.0764	2.5194	4.4964
H8	1.0905	2.1552	2.6368	3.9010	4.5745	1.7703	1.7696		2.5194	3.0764	4.4964
H9	2.1740	1.0913	2.0705	2.6062	2.6287	2.5149	3.0764	2.5194		1.7615	3.6037
H10	2.1740	1.0913	2.0705	2.6062	2.6287	2.5149	2.5194	3.0764	1.7615		3.6037
H11	4.3607	3.2869	1.9840	1.0977	2.0418	5.3096	4.4964	4.4964	3.6037	3.6037

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.201	C1	C2	H9	112.239
C1	C2	H10	112.239	C2	C1	H6	109.806
C2	C1	H7	110.777	C2	C1	H8	110.777
C2	O3	C4	115.024	O3	C2	H9	108.728
O3	C2	H10	108.728	O3	C4	O5	126.105
O3	C4	H11	108.770	O5	C4	H11	125.125
H6	C1	H7	108.475	H6	C1	H8	108.475
H7	C1	H8	108.464	H9	C2	H10	107.613

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

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

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: B2PLYP=FULLultrafine/6-31G(2df,p)

States and conformations

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