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	hartrees
Energy at 0K	-268.292847
Energy at 298.15K	-268.299849
HF Energy	-268.292847
Nuclear repulsion energy	175.187804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3049	3024	26.12
2	A'	2992	2967	14.30
3	A'	2984	2960	15.78
4	A'	2957	2933	82.74
5	A'	1746	1732	245.80
6	A'	1505	1492	5.03
7	A'	1488	1476	2.79
8	A'	1407	1395	8.30
9	A'	1372	1361	1.73
10	A'	1364	1353	13.44
11	A'	1143	1134	335.61
12	A'	1106	1097	13.90
13	A'	993	985	21.77
14	A'	817	810	14.05
15	A'	758	752	0.66
16	A'	366	363	5.14
17	A'	216	215	6.25
18	A"	3060	3035	41.91
19	A"	3028	3004	7.59
20	A"	1480	1468	4.83
21	A"	1264	1254	0.43
22	A"	1154	1145	4.34
23	A"	983	975	0.09
24	A"	797	790	0.80
25	A"	345	342	17.22
26	A"	229	227	1.48
27	A"	48	48	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	-2.208	-0.270	0.000
C2	-0.712	-0.576	0.000
O3	0.000	0.711	0.000
C4	1.358	0.628	0.000
O5	2.022	-0.394	0.000
H6	-2.779	-1.213	0.000
H7	-2.493	0.308	0.894
H8	-2.493	0.308	-0.894
H9	-0.401	-1.147	-0.890
H10	-0.401	-1.147	0.890
H11	1.769	1.659	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5264	2.4156	3.6765	4.2311	1.1029	1.1019	1.1019	2.1965	2.1965	4.4197
C2	1.5264		1.4716	2.3950	2.7401	2.1626	2.1801	2.1801	1.1021	1.1021	3.3400
O3	2.4156	1.4716		1.3601	2.3042	3.3802	2.6789	2.6789	2.0991	2.0991	2.0070
C4	3.6765	2.3950	1.3601		1.2194	4.5280	3.9660	3.9660	2.6529	2.6529	1.1099
O5	4.2311	2.7401	2.3042	1.2194		4.8702	4.6557	4.6557	2.6888	2.6888	2.0689
H6	1.1029	2.1626	3.3802	4.5280	4.8702		1.7872	1.7872	2.5400	2.5400	5.3791
H7	1.1019	2.1801	2.6789	3.9660	4.6557	1.7872		1.7874	3.1106	2.5482	4.5595
H8	1.1019	2.1801	2.6789	3.9660	4.6557	1.7872	1.7874		2.5482	3.1106	4.5595
H9	2.1965	1.1021	2.0991	2.6529	2.6888	2.5400	3.1106	2.5482		1.7805	3.6574
H10	2.1965	1.1021	2.0991	2.6529	2.6888	2.5400	2.5482	3.1106	1.7805		3.6574
H11	4.4197	3.3400	2.0070	1.1099	2.0689	5.3791	4.5595	4.5595	3.6574	3.6574

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.353	C1	C2	H9	112.365
C1	C2	H10	112.365	C2	C1	H6	109.625
C2	C1	H7	111.058	C2	C1	H8	111.058
C2	O3	C4	115.460	O3	C2	H9	108.436
O3	C2	H10	108.436	O3	C4	O5	126.492
O3	C4	H11	108.270	O5	C4	H11	125.238
H6	C1	H7	108.310	H6	C1	H8	108.310
H7	C1	H8	108.393	H9	C2	H10	107.758

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.421
2	C	-0.028
3	O	-0.372
4	C	0.356
5	O	-0.391
6	H	0.141
7	H	0.150
8	H	0.150
9	H	0.149
10	H	0.149
11	H	0.115

	x	y	z	Total
	-2.041	0.416	0.000	2.083
CHELPG
AIM
ESP

	x	y	z
x	7.389	0.355	0.000
y	0.355	5.808	0.000
z	0.000	0.000	4.282

<r²>	138.901
(<r²>)^1/2	11.786

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

using model chemistry: BLYP/6-31G*

States and conformations

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