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	hartrees
Energy at 0K	-267.761956
Energy at 298.15K	-267.769242
HF Energy	-266.898008
Nuclear repulsion energy	177.901258

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3144	3144	25.44
2	A'	3096	3096	57.38
3	A'	3088	3088	21.66
4	A'	3066	3066	15.87
5	A'	1848	1848	294.86
6	A'	1548	1548	7.42
7	A'	1523	1523	2.21
8	A'	1463	1463	19.98
9	A'	1434	1434	1.24
10	A'	1421	1421	1.28
11	A'	1255	1255	433.07
12	A'	1160	1160	8.10
13	A'	1069	1069	13.38
14	A'	892	892	12.61
15	A'	806	806	3.85
16	A'	391	391	6.04
17	A'	239	239	6.53
18	A"	3155	3155	42.45
19	A"	3128	3128	4.94
20	A"	1508	1508	5.25
21	A"	1327	1327	1.95
22	A"	1209	1209	4.39
23	A"	1069	1069	0.30
24	A"	827	827	0.07
25	A"	343	343	21.80
26	A"	246	246	2.82
27	A"	77	77	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	-2.175	-0.265	0.000
C2	-0.687	-0.563	0.000
O3	0.000	0.705	0.000
C4	1.336	0.618	0.000
O5	1.976	-0.396	0.000
H6	-2.741	-1.203	0.000
H7	-2.451	0.311	0.889
H8	-2.451	0.311	-0.889
H9	-0.384	-1.132	-0.885
H10	-0.384	-1.132	0.885
H11	1.761	1.632	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5174	2.3812	3.6203	4.1530	1.0957	1.0945	1.0945	2.1775	2.1775	4.3693
C2	1.5174		1.4418	2.3428	2.6683	2.1509	2.1600	2.1600	1.0947	1.0947	3.2881
O3	2.3812	1.4418		1.3388	2.2619	3.3392	2.6370	2.6370	2.0743	2.0743	1.9905
C4	3.6203	2.3428	1.3388		1.1996	4.4650	3.9023	3.9023	2.6086	2.6086	1.0990
O5	4.1530	2.6683	2.2619	1.1996		4.7850	4.5705	4.5705	2.6257	2.6257	2.0393
H6	1.0957	2.1509	3.3392	4.4650	4.7850		1.7794	1.7794	2.5181	2.5181	5.3201
H7	1.0945	2.1600	2.6370	3.9023	4.5705	1.7794		1.7782	3.0823	2.5205	4.5034
H8	1.0945	2.1600	2.6370	3.9023	4.5705	1.7794	1.7782		2.5205	3.0823	4.5034
H9	2.1775	1.0947	2.0743	2.6086	2.6257	2.5181	3.0823	2.5205		1.7700	3.6087
H10	2.1775	1.0947	2.0743	2.6086	2.6257	2.5181	2.5205	3.0823	1.7700		3.6087
H11	4.3693	3.2881	1.9905	1.0990	2.0393	5.3201	4.5034	4.5034	3.6087	3.6087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.129	C1	C2	H9	111.929
C1	C2	H10	111.929	C2	C1	H6	109.745
C2	C1	H7	110.534	C2	C1	H8	110.534
C2	O3	C4	114.770	O3	C2	H9	108.953
O3	C2	H10	108.953	O3	C4	O5	125.931
O3	C4	H11	109.079	O5	C4	H11	124.990
H6	C1	H7	108.668	H6	C1	H8	108.668
H7	C1	H8	108.642	H9	C2	H10	107.883

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

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

using model chemistry: CCSD/6-311G**

States and conformations

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