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	hartrees
Energy at 0K	-268.313958
Energy at 298.15K	-268.321134
HF Energy	-268.313958
Nuclear repulsion energy	177.692161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	3009	20.87
2	A'	3102	2954	49.66
3	A'	3087	2940	18.97
4	A'	3072	2925	16.84
5	A'	1839	1752	376.26
6	A'	1523	1450	8.87
7	A'	1507	1435	3.40
8	A'	1445	1376	19.06
9	A'	1411	1344	1.07
10	A'	1401	1334	0.28
11	A'	1268	1207	429.19
12	A'	1147	1092	10.30
13	A'	1054	1004	21.93
14	A'	878	836	12.61
15	A'	798	760	2.68
16	A'	388	369	6.03
17	A'	229	218	8.37
18	A"	3164	3013	33.90
19	A"	3137	2987	4.04
20	A"	1498	1427	8.48
21	A"	1308	1246	1.49
22	A"	1185	1128	4.94
23	A"	1039	990	0.04
24	A"	815	776	0.64
25	A"	344	328	24.15
26	A"	232	221	3.01
27	A"	57	55	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	-2.178	-0.280	0.000
C2	-0.694	-0.571	0.000
O3	0.000	0.693	0.000
C4	1.332	0.635	0.000
O5	1.992	-0.374	0.000
H6	-2.734	-1.222	0.000
H7	-2.465	0.290	0.888
H8	-2.465	0.290	-0.888
H9	-0.387	-1.136	-0.885
H10	-0.387	-1.136	0.885
H11	1.746	1.652	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5126	2.3857	3.6272	4.1711	1.0938	1.0931	1.0931	2.1736	2.1736	4.3738
C2	1.5126		1.4425	2.3575	2.6930	2.1415	2.1599	2.1599	1.0938	1.0938	3.3008
O3	2.3857	1.4425		1.3330	2.2597	3.3382	2.6504	2.6504	2.0691	2.0691	1.9917
C4	3.6272	2.3575	1.3330		1.2055	4.4698	3.9139	3.9139	2.6220	2.6220	1.0982
O5	4.1711	2.6930	2.2597	1.2055		4.8015	4.5922	4.5922	2.6502	2.6502	2.0408
H6	1.0938	2.1415	3.3382	4.4698	4.8015		1.7738	1.7738	2.5098	2.5098	5.3225
H7	1.0931	2.1599	2.6504	3.9139	4.5922	1.7738		1.7754	3.0810	2.5202	4.5133
H8	1.0931	2.1599	2.6504	3.9139	4.5922	1.7738	1.7754		2.5202	3.0810	4.5133
H9	2.1736	1.0938	2.0691	2.6220	2.6502	2.5098	3.0810	2.5202		1.7694	3.6205
H10	2.1736	1.0938	2.0691	2.6220	2.6502	2.5098	2.5202	3.0810	1.7694		3.6205
H11	4.3738	3.3008	1.9917	1.0982	2.0408	5.3225	4.5133	4.5133	3.6205	3.6205

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.644	C1	C2	H9	112.012
C1	C2	H10	112.012	C2	C1	H6	109.445
C2	C1	H7	110.949	C2	C1	H8	110.949
C2	O3	C4	116.239	O3	C2	H9	108.551
O3	C2	H10	108.551	O3	C4	O5	125.713
O3	C4	H11	109.635	O5	C4	H11	124.651
H6	C1	H7	108.410	H6	C1	H8	108.410
H7	C1	H8	108.603	H9	C2	H10	107.969

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

using model chemistry: wB97X-D/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	-0.561
2	C	-0.049
3	O	-0.289
4	C	0.354
5	O	-0.455
6	H	0.167
7	H	0.175
8	H	0.175
9	H	0.172
10	H	0.172
11	H	0.138

	x	y	z	Total
	-2.189	0.593	0.000	2.268
CHELPG
AIM
ESP

	x	y	z
x	7.673	0.026	0.000
y	0.026	6.278	0.000
z	0.000	0.000	4.903

<r²>	135.881
(<r²>)^1/2	11.657

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

using model chemistry: wB97X-D/6-31+G**

States and conformations

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