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	hartrees
Energy at 0K	-268.314166
Energy at 298.15K	-268.321150
HF Energy	-268.314166
Nuclear repulsion energy	175.657603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3043	3026	22.01
2	A'	2976	2960	16.92
3	A'	2974	2958	12.72
4	A'	2929	2913	74.73
5	A'	1743	1733	238.92
6	A'	1477	1469	5.38
7	A'	1457	1449	2.70
8	A'	1378	1370	5.70
9	A'	1362	1354	0.69
10	A'	1350	1342	11.16
11	A'	1134	1128	325.92
12	A'	1095	1089	11.90
13	A'	988	982	22.08
14	A'	813	808	12.61
15	A'	757	753	0.64
16	A'	363	361	4.75
17	A'	215	214	5.88
18	A"	3050	3033	33.85
19	A"	3012	2995	8.53
20	A"	1449	1442	3.91
21	A"	1249	1242	0.80
22	A"	1146	1139	3.95
23	A"	993	987	0.04
24	A"	786	782	0.70
25	A"	342	341	15.85
26	A"	221	220	1.19
27	A"	42	42	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	-2.203	-0.275	0.000
C2	-0.707	-0.575	0.000
O3	0.000	0.710	0.000
C4	1.354	0.629	0.000
O5	2.015	-0.388	0.000
H6	-2.771	-1.218	0.000
H7	-2.490	0.302	0.892
H8	-2.490	0.302	-0.892
H9	-0.395	-1.146	-0.889
H10	-0.395	-1.146	0.889
H11	1.759	1.661	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5258	2.4130	3.6703	4.2196	1.1010	1.1003	1.1003	2.1952	2.1952	4.4102
C2	1.5258		1.4669	2.3875	2.7286	2.1610	2.1781	2.1781	1.1013	1.1013	3.3299
O3	2.4130	1.4669		1.3566	2.2945	3.3753	2.6763	2.6763	2.0953	2.0953	2.0003
C4	3.6703	2.3875	1.3566		1.2127	4.5194	3.9599	3.9599	2.6458	2.6458	1.1093
O5	4.2196	2.7286	2.2945	1.2127		4.8569	4.6439	4.6439	2.6780	2.6780	2.0654
H6	1.1010	2.1610	3.3753	4.5194	4.8569		1.7847	1.7847	2.5373	2.5373	5.3677
H7	1.1003	2.1781	2.6763	3.9599	4.6439	1.7847		1.7846	3.1076	2.5468	4.5499
H8	1.1003	2.1781	2.6763	3.9599	4.6439	1.7847	1.7846		2.5468	3.1076	4.5499
H9	2.1952	1.1013	2.0953	2.6458	2.6780	2.5373	3.1076	2.5468		1.7771	3.6489
H10	2.1952	1.1013	2.0953	2.6458	2.6780	2.5373	2.5468	3.1076	1.7771		3.6489
H11	4.4102	3.3299	2.0003	1.1093	2.0654	5.3677	4.5499	4.5499	3.6489	3.6489

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.452	C1	C2	H9	112.347
C1	C2	H10	112.347	C2	C1	H6	109.647
C2	C1	H7	111.031	C2	C1	H8	111.031
C2	O3	C4	115.409	O3	C2	H9	108.502
O3	C2	H10	108.502	O3	C4	O5	126.428
O3	C4	H11	108.008	O5	C4	H11	125.565
H6	C1	H7	108.337	H6	C1	H8	108.337
H7	C1	H8	108.374	H9	C2	H10	107.574

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.352
2	C	-0.030
3	O	-0.155
4	C	0.148
5	O	-0.269
6	H	0.111
7	H	0.118
8	H	0.118
9	H	0.112
10	H	0.112
11	H	0.088

	x	y	z	Total
	-2.008	0.442	0.000	2.056
CHELPG
AIM
ESP

	x	y	z
x	7.747	0.430	0.000
y	0.430	6.039	0.000
z	0.000	0.000	4.626

<r²>	138.270
(<r²>)^1/2	11.759

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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