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	hartrees
Energy at 0K	-267.753791
Energy at 298.15K	-267.761023
HF Energy	-266.920581
Nuclear repulsion energy	177.754620

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3023	17.24
2	A'	3121	2959	46.55
3	A'	3114	2952	20.65
4	A'	3098	2937	13.13
5	A'	1783	1690	293.91
6	A'	1544	1464	9.05
7	A'	1526	1447	2.81
8	A'	1458	1382	18.56
9	A'	1440	1365	3.69
10	A'	1420	1346	2.60
11	A'	1230	1166	431.51
12	A'	1157	1097	5.92
13	A'	1060	1004	15.24
14	A'	880	834	14.33
15	A'	798	757	2.16
16	A'	388	367	5.12
17	A'	234	222	6.65
18	A"	3202	3035	26.93
19	A"	3168	3003	7.27
20	A"	1505	1427	6.01
21	A"	1318	1249	1.45
22	A"	1206	1143	4.17
23	A"	1044	990	0.00
24	A"	831	788	0.15
25	A"	342	324	21.92
26	A"	242	230	2.43
27	A"	62	59	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	-2.173	-0.259	0.000
C2	-0.696	-0.560	0.000
O3	0.000	0.707	0.000
C4	1.339	0.617	0.000
O5	1.980	-0.406	0.000
H6	-2.735	-1.194	0.000
H7	-2.450	0.311	0.886
H8	-2.450	0.311	-0.886
H9	-0.394	-1.125	-0.882
H10	-0.394	-1.125	0.882
H11	1.766	1.625	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5082	2.3787	3.6201	4.1558	1.0901	1.0888	1.0888	2.1667	2.1667	4.3667
C2	1.5082		1.4460	2.3509	2.6799	2.1355	2.1495	2.1495	1.0900	1.0900	3.2917
O3	2.3787	1.4460		1.3419	2.2713	3.3307	2.6351	2.6351	2.0715	2.0715	1.9901
C4	3.6201	2.3509	1.3419		1.2074	4.4584	3.9030	3.9030	2.6110	2.6110	1.0945
O5	4.1558	2.6799	2.2713	1.2074		4.7802	4.5738	4.5738	2.6325	2.6325	2.0423
H6	1.0901	2.1355	3.3307	4.4584	4.7802		1.7686	1.7686	2.5028	2.5028	5.3106
H7	1.0888	2.1495	2.6351	3.9030	4.5738	1.7686		1.7713	3.0681	2.5076	4.5038
H8	1.0888	2.1495	2.6351	3.9030	4.5738	1.7686	1.7713		2.5076	3.0681	4.5038
H9	2.1667	1.0900	2.0715	2.6110	2.6325	2.5028	3.0681	2.5076		1.7644	3.6065
H10	2.1667	1.0900	2.0715	2.6110	2.6325	2.5028	2.5076	3.0681	1.7644		3.6065
H11	4.3667	3.2917	1.9901	1.0945	2.0423	5.3106	4.5038	4.5038	3.6065	3.6065

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.236	C1	C2	H9	112.005
C1	C2	H10	112.005	C2	C1	H6	109.490
C2	C1	H7	110.690	C2	C1	H8	110.690
C2	O3	C4	114.916	O3	C2	H9	108.722
O3	C2	H10	108.722	O3	C4	O5	125.901
O3	C4	H11	109.114	O5	C4	H11	124.985
H6	C1	H7	108.524	H6	C1	H8	108.524
H7	C1	H8	108.865	H9	C2	H10	108.063

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

using model chemistry: MP2/TZVP

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: MP2/TZVP

States and conformations

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