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	hartrees
Energy at 0K	-268.368962
Energy at 298.15K	-268.375960
HF Energy	-268.368962
Nuclear repulsion energy	175.403239

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3028	3021	33.73
2	A'	2981	2974	15.53
3	A'	2968	2961	19.78
4	A'	2931	2923	90.37
5	A'	1730	1725	271.94
6	A'	1494	1491	6.95
7	A'	1477	1474	3.01
8	A'	1395	1391	13.08
9	A'	1363	1360	3.14
10	A'	1356	1353	6.13
11	A'	1118	1115	312.42
12	A'	1100	1097	55.02
13	A'	984	981	24.07
14	A'	811	809	15.88
15	A'	754	752	0.33
16	A'	366	365	5.07
17	A'	216	215	6.11
18	A"	3042	3034	54.21
19	A"	3013	3005	3.54
20	A"	1467	1464	7.57
21	A"	1266	1263	0.76
22	A"	1149	1146	4.04
23	A"	978	976	0.01
24	A"	795	793	0.75
25	A"	342	341	19.32
26	A"	225	224	1.53
27	A"	46	46	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	-2.206	-0.274	0.000
C2	-0.714	-0.583	0.000
O3	0.000	0.706	0.000
C4	1.357	0.631	0.000
O5	2.024	-0.381	0.000
H6	-2.782	-1.212	0.000
H7	-2.491	0.303	0.891
H8	-2.491	0.303	-0.891
H9	-0.403	-1.151	-0.888
H10	-0.403	-1.151	0.888
H11	1.760	1.664	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5236	2.4143	3.6769	4.2318	1.1002	1.0989	1.0989	2.1926	2.1926	4.4144
C2	1.5236		1.4735	2.4012	2.7459	2.1614	2.1758	2.1758	1.0991	1.0991	3.3419
O3	2.4143	1.4735		1.3594	2.2973	3.3791	2.6759	2.6759	2.0973	2.0973	2.0036
C4	3.6769	2.4012	1.3594		1.2117	4.5312	3.9636	3.9636	2.6578	2.6578	1.1082
O5	4.2318	2.7459	2.2973	1.2117		4.8777	4.6526	4.6526	2.6971	2.6971	2.0613
H6	1.1002	2.1614	3.3791	4.5312	4.8777		1.7812	1.7812	2.5399	2.5399	5.3757
H7	1.0989	2.1758	2.6759	3.9636	4.6526	1.7812		1.7812	3.1041	2.5440	4.5512
H8	1.0989	2.1758	2.6759	3.9636	4.6526	1.7812	1.7812		2.5440	3.1041	4.5512
H9	2.1926	1.0991	2.0973	2.6578	2.6971	2.5399	3.1041	2.5440		1.7760	3.6592
H10	2.1926	1.0991	2.0973	2.6578	2.6971	2.5399	2.5440	3.1041	1.7760		3.6592
H11	4.4144	3.3419	2.0036	1.1082	2.0613	5.3757	4.5512	4.5512	3.6592	3.6592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.318	C1	C2	H9	112.442
C1	C2	H10	112.442	C2	C1	H6	109.882
C2	C1	H7	111.099	C2	C1	H8	111.099
C2	O3	C4	115.846	O3	C2	H9	108.352
O3	C2	H10	108.352	O3	C4	O5	126.541
O3	C4	H11	108.144	O5	C4	H11	125.315
H6	C1	H7	108.189	H6	C1	H8	108.189
H7	C1	H8	108.284	H9	C2	H10	107.794

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

using model chemistry: BLYP/6-311G*

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	-0.597
2	C	-0.215
3	O	-0.256
4	C	0.154
5	O	-0.295
6	H	0.203
7	H	0.208
8	H	0.208
9	H	0.209
10	H	0.209
11	H	0.173

	x	y	z	Total
	-1.984	0.404	0.000	2.025
CHELPG
AIM
ESP

	x	y	z
x	7.764	0.325	0.000
y	0.325	6.180	0.000
z	0.000	0.000	4.639

<r²>	139.266
(<r²>)^1/2	11.801

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

using model chemistry: BLYP/6-311G*

States and conformations

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