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	hartrees
Energy at 0K	-268.403326
Energy at 298.15K	-268.410459
HF Energy	-268.403326
Nuclear repulsion energy	176.772421

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3123	3011	22.80
2	A'	3069	2959	3.74
3	A'	3067	2957	65.23
4	A'	3051	2941	17.25
5	A'	1794	1730	359.41
6	A'	1519	1465	7.82
7	A'	1503	1449	3.16
8	A'	1431	1380	15.58
9	A'	1400	1350	0.85
10	A'	1393	1343	3.72
11	A'	1218	1174	413.59
12	A'	1132	1092	10.02
13	A'	1027	990	22.73
14	A'	852	822	15.27
15	A'	782	754	1.07
16	A'	378	365	5.29
17	A'	222	214	8.01
18	A"	3135	3023	37.17
19	A"	3110	2998	2.10
20	A"	1491	1438	7.72
21	A"	1296	1250	1.21
22	A"	1178	1136	4.59
23	A"	1033	996	0.01
24	A"	811	782	0.56
25	A"	347	335	23.61
26	A"	232	224	2.37
27	A"	59	57	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	-2.190	-0.281	0.000
C2	-0.704	-0.579	0.000
O3	0.000	0.694	0.000
C4	1.340	0.638	0.000
O5	2.009	-0.370	0.000
H6	-2.752	-1.221	0.000
H7	-2.477	0.291	0.888
H8	-2.477	0.291	-0.888
H9	-0.395	-1.143	-0.885
H10	-0.395	-1.143	0.885
H11	1.747	1.660	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5162	2.3976	3.6483	4.2003	1.0950	1.0941	1.0941	2.1795	2.1795	4.3898
C2	1.5162		1.4545	2.3788	2.7207	2.1465	2.1652	2.1652	1.0942	1.0942	3.3193
O3	2.3976	1.4545		1.3414	2.2733	3.3527	2.6618	2.6618	2.0774	2.0774	1.9962
C4	3.6483	2.3788	1.3414		1.2097	4.4947	3.9342	3.9342	2.6397	2.6397	1.0998
O5	4.2003	2.7207	2.2733	1.2097		4.8363	4.6202	4.6202	2.6758	2.6758	2.0467
H6	1.0950	2.1465	3.3527	4.4947	4.8363		1.7746	1.7746	2.5188	2.5188	5.3423
H7	1.0941	2.1652	2.6618	3.9342	4.6202	1.7746		1.7755	3.0876	2.5280	4.5280
H8	1.0941	2.1652	2.6618	3.9342	4.6202	1.7746	1.7755		2.5280	3.0876	4.5280
H9	2.1795	1.0942	2.0774	2.6397	2.6758	2.5188	3.0876	2.5280		1.7697	3.6373
H10	2.1795	1.0942	2.0774	2.6397	2.6758	2.5188	2.5280	3.0876	1.7697		3.6373
H11	4.3898	3.3193	1.9962	1.0998	2.0467	5.3423	4.5280	4.5280	3.6373	3.6373

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.610	C1	C2	H9	112.213
C1	C2	H10	112.213	C2	C1	H6	109.526
C2	C1	H7	111.057	C2	C1	H8	111.057
C2	O3	C4	116.542	O3	C2	H9	108.370
O3	C2	H10	108.370	O3	C4	O5	125.952
O3	C4	H11	109.314	O5	C4	H11	124.734
H6	C1	H7	108.325	H6	C1	H8	108.325
H7	C1	H8	108.466	H9	C2	H10	107.939

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

using model chemistry: B3LYP/6-31+G**

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	-0.538
2	C	-0.024
3	O	-0.290
4	C	0.376
5	O	-0.449
6	H	0.153
7	H	0.164
8	H	0.164
9	H	0.161
10	H	0.161
11	H	0.122

	x	y	z	Total
	-2.225	0.528	0.000	2.286
CHELPG
AIM
ESP

	x	y	z
x	7.957	0.073	0.000
y	0.073	6.423	0.000
z	0.000	0.000	4.958

<r²>	137.548
(<r²>)^1/2	11.728

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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