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	hartrees
Energy at 0K	-266.935990
Energy at 298.15K	-266.943403
HF Energy	-266.935990
Nuclear repulsion energy	179.607438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	2925	42.05
2	A'	3220	2913	57.45
3	A'	3206	2900	13.41
4	A'	3169	2867	20.47
5	A'	1961	1774	443.15
6	A'	1645	1488	8.28
7	A'	1615	1461	2.55
8	A'	1561	1412	15.02
9	A'	1534	1388	4.79
10	A'	1521	1376	0.24
11	A'	1363	1233	554.36
12	A'	1228	1111	15.90
13	A'	1107	1001	20.68
14	A'	938	849	19.49
15	A'	855	773	2.36
16	A'	409	370	6.09
17	A'	243	219	9.49
18	A"	3259	2948	54.34
19	A"	3228	2920	3.91
20	A"	1601	1449	5.38
21	A"	1415	1280	2.04
22	A"	1287	1165	4.59
23	A"	1189	1076	1.67
24	A"	874	791	0.15
25	A"	349	316	26.52
26	A"	255	231	4.58
27	A"	76	68	1.00

Atom	x (Å)	y (Å)	z (Å)
C1	2.166	-0.303	0.000
C2	0.683	-0.586	0.000
O3	0.000	0.666	0.000
C4	-1.310	0.648	0.000
O5	-1.989	-0.316	0.000
H6	2.714	-1.238	0.000
H7	2.451	0.261	0.879
H8	2.451	0.261	-0.879
H9	0.383	-1.146	0.874
H10	0.383	-1.146	-0.874
H11	-1.700	1.661	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5101	2.3730	3.6043	4.1557	1.0834	1.0825	1.0825	2.1573	2.1573	4.3365
C2	1.5101		1.4258	2.3441	2.6859	2.1333	2.1489	2.1489	1.0806	1.0806	3.2753
O3	2.3730	1.4258		1.3106	2.2187	3.3151	2.6353	2.6353	2.0477	2.0477	1.9699
C4	3.6043	2.3441	1.3106		1.1792	4.4443	3.8824	3.8824	2.6170	2.6170	1.0860
O5	4.1557	2.6859	2.2187	1.1792		4.7930	4.5637	4.5637	2.6611	2.6611	1.9990
H6	1.0834	2.1333	3.3151	4.4443	4.7930		1.7573	1.7573	2.4913	2.4913	5.2809
H7	1.0825	2.1489	2.6353	3.8824	4.5637	1.7573		1.7570	2.5015	3.0546	4.4682
H8	1.0825	2.1489	2.6353	3.8824	4.5637	1.7573	1.7570		3.0546	2.5015	4.4682
H9	2.1573	1.0806	2.0477	2.6170	2.6611	2.4913	2.5015	3.0546		1.7488	3.6033
H10	2.1573	1.0806	2.0477	2.6170	2.6611	2.4913	3.0546	2.5015	1.7488		3.6033
H11	4.3365	3.2753	1.9699	1.0860	1.9990	5.2809	4.4682	4.4682	3.6033	3.6033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.822	C1	C2	H9	111.679
C1	C2	H10	111.679	C2	C1	H6	109.586
C2	C1	H7	110.885	C2	C1	H8	110.885
C2	O3	C4	117.819	O3	C2	H9	108.781
O3	C2	H10	108.781	O3	C4	O5	125.954
O3	C4	H11	110.212	O5	C4	H11	123.834
H6	C1	H7	108.458	H6	C1	H8	108.458
H7	C1	H8	108.498	H9	C2	H10	108.029

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

using model chemistry: HF/daug-cc-pVTZ

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	-1.296
2	C	-0.273
3	O	-0.645
4	C	-0.056
5	O	-1.316
6	H	0.273
7	H	0.355
8	H	0.355
9	H	0.617
10	H	0.617
11	H	1.368

	x	y	z	Total
	2.202	0.730	0.000	2.320
CHELPG
AIM
ESP

	x	y	z
x	7.422	-0.149	0.000
y	-0.149	6.181	0.000
z	0.000	0.000	5.097

<r²>	134.333
(<r²>)^1/2	11.590

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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