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	hartrees
Energy at 0K	-268.129593
Energy at 298.15K	-268.136793
HF Energy	-267.865325
Nuclear repulsion energy	177.390362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	3179	20.43
2	A'	3109	3109	6.68
3	A'	3104	3104	71.99
4	A'	3097	3097	14.56
5	A'	1815	1815	262.59
6	A'	1555	1555	6.41
7	A'	1536	1536	2.23
8	A'	1460	1460	15.01
9	A'	1423	1423	1.30
10	A'	1417	1417	6.87
11	A'	1235	1235	394.05
12	A'	1154	1154	9.62
13	A'	1052	1052	17.29
14	A'	871	871	12.71
15	A'	794	794	2.67
16	A'	384	384	6.00
17	A'	229	229	7.17
18	A"	3189	3189	32.26
19	A"	3157	3157	8.90
20	A"	1525	1525	4.91
21	A"	1316	1316	0.77
22	A"	1204	1204	4.85
23	A"	1046	1046	0.36
24	A"	824	824	0.49
25	A"	353	353	20.92
26	A"	243	243	2.21
27	A"	60	60	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	-2.179	-0.261	0.000
C2	-0.698	-0.565	0.000
O3	0.000	0.705	0.000
C4	1.340	0.621	0.000
O5	1.988	-0.401	0.000
H6	-2.746	-1.193	0.000
H7	-2.457	0.312	0.885
H8	-2.457	0.312	-0.885
H9	-0.392	-1.132	-0.881
H10	-0.392	-1.132	0.881
H11	1.762	1.634	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5121	2.3836	3.6280	4.1689	1.0910	1.0900	1.0900	2.1740	2.1740	4.3725
C2	1.5121		1.4491	2.3580	2.6903	2.1429	2.1554	2.1554	1.0910	1.0910	3.2990
O3	2.3836	1.4491		1.3427	2.2745	3.3385	2.6404	2.6404	2.0744	2.0744	1.9915
C4	3.6280	2.3580	1.3427		1.2100	4.4712	3.9106	3.9106	2.6172	2.6172	1.0967
O5	4.1689	2.6903	2.2745	1.2100		4.7999	4.5871	4.5871	2.6407	2.6407	2.0471
H6	1.0910	2.1429	3.3385	4.4712	4.7999		1.7696	1.7696	2.5145	2.5145	5.3211
H7	1.0900	2.1554	2.6404	3.9106	4.5871	1.7696		1.7692	3.0762	2.5192	4.5080
H8	1.0900	2.1554	2.6404	3.9106	4.5871	1.7696	1.7692		2.5192	3.0762	4.5080
H9	2.1740	1.0910	2.0744	2.6172	2.6407	2.5145	3.0762	2.5192		1.7618	3.6142
H10	2.1740	1.0910	2.0744	2.6172	2.6407	2.5145	2.5192	3.0762	1.7618		3.6142
H11	4.3725	3.2990	1.9915	1.0967	2.0471	5.3211	4.5080	4.5080	3.6142	3.6142

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.186	C1	C2	H9	112.253
C1	C2	H10	112.253	C2	C1	H6	109.754
C2	C1	H7	110.804	C2	C1	H8	110.804
C2	O3	C4	115.207	O3	C2	H9	108.684
O3	C2	H10	108.684	O3	C4	O5	125.928
O3	C4	H11	109.032	O5	C4	H11	125.040
H6	C1	H7	108.461	H6	C1	H8	108.461
H7	C1	H8	108.488	H9	C2	H10	107.686

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for HCOOC2H5 (Ethyl formate)

using model chemistry: B2PLYP=FULL/6-31G**

States and conformations

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