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	hartrees
Energy at 0K	-268.345169
Energy at 298.15K	-268.352341
HF Energy	-268.345169
Nuclear repulsion energy	177.873582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3128	3011	26.59
2	A'	3069	2954	13.51
3	A'	3052	2938	16.14
4	A'	3048	2934	81.71
5	A'	1830	1762	317.56
6	A'	1529	1472	9.27
7	A'	1510	1454	2.97
8	A'	1435	1381	19.06
9	A'	1408	1356	1.45
10	A'	1398	1346	0.60
11	A'	1225	1179	402.35
12	A'	1142	1099	12.89
13	A'	1044	1005	21.63
14	A'	868	835	12.01
15	A'	798	768	1.98
16	A'	382	367	6.30
17	A'	225	217	7.01
18	A"	3137	3020	44.41
19	A"	3107	2991	4.49
20	A"	1499	1443	8.70
21	A"	1311	1262	1.17
22	A"	1185	1141	4.77
23	A"	1035	996	0.08
24	A"	812	782	0.96
25	A"	353	340	21.70
26	A"	236	227	2.20
27	A"	59	57	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	-2.175	-0.275	0.000
C2	-0.695	-0.569	0.000
O3	0.000	0.696	0.000
C4	1.333	0.626	0.000
O5	1.990	-0.377	0.000
H6	-2.741	-1.211	0.000
H7	-2.461	0.297	0.886
H8	-2.461	0.297	-0.886
H9	-0.386	-1.136	-0.882
H10	-0.386	-1.136	0.882
H11	1.744	1.647	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5089	2.3823	3.6225	4.1662	1.0934	1.0926	1.0926	2.1728	2.1728	4.3651
C2	1.5089		1.4437	2.3546	2.6918	2.1442	2.1573	2.1573	1.0932	1.0932	3.2956
O3	2.3823	1.4437		1.3351	2.2604	3.3392	2.6460	2.6460	2.0699	2.0699	1.9862
C4	3.6225	2.3546	1.3351		1.1986	4.4695	3.9104	3.9104	2.6154	2.6154	1.1004
O5	4.1662	2.6918	2.2604	1.1986		4.8039	4.5880	4.5880	2.6455	2.6455	2.0388
H6	1.0934	2.1442	3.3392	4.4695	4.8039		1.7711	1.7711	2.5161	2.5161	5.3181
H7	1.0926	2.1573	2.6460	3.9104	4.5880	1.7711		1.7711	3.0800	2.5224	4.5042
H8	1.0926	2.1573	2.6460	3.9104	4.5880	1.7711	1.7711		2.5224	3.0800	4.5042
H9	2.1728	1.0932	2.0699	2.6154	2.6455	2.5161	3.0800	2.5224		1.7638	3.6141
H10	2.1728	1.0932	2.0699	2.6154	2.6455	2.5161	2.5224	3.0800	1.7638		3.6141
H11	4.3651	3.2956	1.9862	1.1004	2.0388	5.3181	4.5042	4.5042	3.6141	3.6141

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.552	C1	C2	H9	112.250
C1	C2	H10	112.250	C2	C1	H6	109.938
C2	C1	H7	111.032	C2	C1	H8	111.032
C2	O3	C4	115.795	O3	C2	H9	108.565
O3	C2	H10	108.565	O3	C4	O5	126.198
O3	C4	H11	108.900	O5	C4	H11	124.901
H6	C1	H7	108.227	H6	C1	H8	108.227
H7	C1	H8	108.290	H9	C2	H10	107.552

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

using model chemistry: B3PW91/6-311G*

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	-0.670
2	C	-0.257
3	O	-0.281
4	C	0.190
5	O	-0.336
6	H	0.228
7	H	0.232
8	H	0.232
9	H	0.233
10	H	0.233
11	H	0.195

	x	y	z	Total
	-1.997	0.513	0.000	2.062
CHELPG
AIM
ESP

	x	y	z
x	7.197	0.207	0.000
y	0.207	5.843	0.000
z	0.000	0.000	4.468

<r²>	135.446
(<r²>)^1/2	11.638

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

using model chemistry: B3PW91/6-311G*

States and conformations

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