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	hartrees
Energy at 0K	-268.229441
Energy at 298.15K	-268.236472
HF Energy	-268.229441
Nuclear repulsion energy	176.251628

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3085	3085	25.74
2	A'	3013	3013	16.51
3	A'	3005	3005	17.78
4	A'	2979	2979	87.50
5	A'	1775	1775	258.94
6	A'	1499	1499	5.58
7	A'	1482	1482	2.23
8	A'	1405	1405	12.27
9	A'	1377	1377	0.95
10	A'	1366	1366	7.63
11	A'	1169	1169	352.10
12	A'	1112	1112	11.69
13	A'	1008	1008	24.37
14	A'	831	831	13.05
15	A'	770	770	1.04
16	A'	372	372	5.53
17	A'	220	220	6.46
18	A"	3095	3095	39.65
19	A"	3057	3057	11.23
20	A"	1472	1472	4.79
21	A"	1272	1272	0.59
22	A"	1157	1157	4.46
23	A"	998	998	0.09
24	A"	798	798	0.90
25	A"	348	348	18.34
26	A"	228	228	1.61
27	A"	38	38	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	-2.194	-0.269	0.000
C2	-0.705	-0.570	0.000
O3	0.000	0.709	0.000
C4	1.348	0.625	0.000
O5	2.006	-0.395	0.000
H6	-2.759	-1.210	0.000
H7	-2.478	0.306	0.890
H8	-2.478	0.306	-0.890
H9	-0.395	-1.139	-0.886
H10	-0.395	-1.139	0.886
H11	1.762	1.651	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5185	2.4016	3.6531	4.2013	1.0980	1.0971	1.0971	2.1857	2.1857	4.3969
C2	1.5185		1.4602	2.3758	2.7166	2.1515	2.1684	2.1684	1.0983	1.0983	3.3196
O3	2.4016	1.4602		1.3511	2.2897	3.3609	2.6638	2.6638	2.0876	2.0876	1.9981
C4	3.6531	2.3758	1.3511		1.2138	4.4989	3.9416	3.9416	2.6343	2.6343	1.1066
O5	4.2013	2.7166	2.2897	1.2138		4.8342	4.6249	4.6249	2.6655	2.6655	2.0612
H6	1.0980	2.1515	3.3609	4.4989	4.8342		1.7802	1.7802	2.5256	2.5256	5.3505
H7	1.0971	2.1684	2.6638	3.9416	4.6249	1.7802		1.7805	3.0956	2.5349	4.5366
H8	1.0971	2.1684	2.6638	3.9416	4.6249	1.7802	1.7805		2.5349	3.0956	4.5366
H9	2.1857	1.0983	2.0876	2.6343	2.6655	2.5256	3.0956	2.5349		1.7729	3.6370
H10	2.1857	1.0983	2.0876	2.6343	2.6655	2.5256	2.5349	3.0956	1.7729		3.6370
H11	4.3969	3.3196	1.9981	1.1066	2.0612	5.3505	4.5366	4.5366	3.6370	3.6370

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.450	C1	C2	H9	112.288
C1	C2	H10	112.288	C2	C1	H6	109.576
C2	C1	H7	110.972	C2	C1	H8	110.972
C2	O3	C4	115.315	O3	C2	H9	108.535
O3	C2	H10	108.535	O3	C4	O5	126.356
O3	C4	H11	108.379	O5	C4	H11	125.265
H6	C1	H7	108.384	H6	C1	H8	108.384
H7	C1	H8	108.476	H9	C2	H10	107.634

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

using model chemistry: B97D3/6-31G**

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	-0.358
2	C	0.023
3	O	-0.410
4	C	0.414
5	O	-0.414
6	H	0.121
7	H	0.131
8	H	0.131
9	H	0.131
10	H	0.131
11	H	0.099

	x	y	z	Total
	-2.047	0.443	0.000	2.094
CHELPG
AIM
ESP

	x	y	z
x	7.353	0.331	0.000
y	0.331	5.825	0.000
z	0.000	0.000	4.336

<r²>	137.177
(<r²>)^1/2	11.712

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

using model chemistry: B97D3/6-31G**

States and conformations

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