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	hartrees
Energy at 0K	-268.202769
Energy at 298.15K	-268.209901
HF Energy	-268.202769
Nuclear repulsion energy	175.558756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3170	44.35
2	A'	3166	3166	23.59
3	A'	3097	3097	10.85
4	A'	3077	3077	15.54
5	A'	1746	1746	261.43
6	A'	1560	1560	11.46
7	A'	1548	1548	5.53
8	A'	1477	1477	17.93
9	A'	1438	1438	5.49
10	A'	1413	1413	8.37
11	A'	1222	1222	400.26
12	A'	1166	1166	7.90
13	A'	1061	1061	18.32
14	A'	845	845	13.44
15	A'	785	785	2.22
16	A'	381	381	7.91
17	A'	222	222	8.42
18	A"	3179	3179	35.78
19	A"	3150	3150	4.48
20	A"	1539	1539	9.29
21	A"	1326	1326	0.38
22	A"	1204	1204	8.12
23	A"	1034	1034	0.00
24	A"	846	846	1.50
25	A"	339	339	32.99
26	A"	228	228	2.97
27	A"	51	51	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	-2.199	-0.265	0.000
C2	-0.722	-0.593	0.000
O3	0.000	0.692	0.000
C4	1.354	0.646	0.000
O5	2.024	-0.381	0.000
H6	-2.784	-1.190	0.000
H7	-2.467	0.315	0.887
H8	-2.467	0.315	-0.887
H9	-0.418	-1.157	-0.886
H10	-0.418	-1.157	0.886
H11	1.759	1.659	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5134	2.3984	3.6687	4.2255	1.0945	1.0931	1.0931	2.1807	2.1807	4.4014
C2	1.5134		1.4740	2.4181	2.7547	2.1469	2.1578	2.1578	1.0935	1.0935	3.3511
O3	2.3984	1.4740		1.3553	2.2910	3.3605	2.6482	2.6482	2.0925	2.0925	2.0077
C4	3.6687	2.4181	1.3553		1.2259	4.5277	3.9366	3.9366	2.6790	2.6790	1.0911
O5	4.2255	2.7547	2.2910	1.2259		4.8765	4.6305	4.6305	2.7116	2.7116	2.0569
H6	1.0945	2.1469	3.3605	4.5277	4.8765		1.7757	1.7757	2.5272	2.5272	5.3629
H7	1.0931	2.1578	2.6482	3.9366	4.6305	1.7757		1.7740	3.0838	2.5232	4.5223
H8	1.0931	2.1578	2.6482	3.9366	4.6305	1.7757	1.7740		2.5232	3.0838	4.5223
H9	2.1807	1.0935	2.0925	2.6790	2.7116	2.5272	3.0838	2.5232		1.7720	3.6683
H10	2.1807	1.0935	2.0925	2.6790	2.7116	2.5272	2.5232	3.0838	1.7720		3.6683
H11	4.4014	3.3511	2.0077	1.0911	2.0569	5.3629	4.5223	4.5223	3.6683	3.6683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.798	C1	C2	H9	112.549
C1	C2	H10	112.549	C2	C1	H6	109.778
C2	C1	H7	110.724	C2	C1	H8	110.724
C2	O3	C4	117.387	O3	C2	H9	108.268
O3	C2	H10	108.268	O3	C4	O5	125.074
O3	C4	H11	109.837	O5	C4	H11	125.089
H6	C1	H7	108.536	H6	C1	H8	108.536
H7	C1	H8	108.481	H9	C2	H10	108.242

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

using model chemistry: wB97X-D/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	-0.478
2	C	-0.076
3	O	-0.498
4	C	0.371
5	O	-0.421
6	H	0.167
7	H	0.181
8	H	0.181
9	H	0.192
10	H	0.192
11	H	0.188

	x	y	z	Total
	-2.164	0.424	0.000	2.205
CHELPG
AIM
ESP

	x	y	z
x	6.819	0.157	0.000
y	0.157	5.497	0.000
z	0.000	0.000	4.006

<r²>	138.565
(<r²>)^1/2	11.771

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

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

States and conformations

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