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	hartrees
Energy at 0K	-267.822151
Energy at 298.15K	-267.829434
HF Energy	-266.897447
Nuclear repulsion energy	177.956966

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	3024	17.68
2	A'	3112	2952	6.47
3	A'	3107	2947	73.82
4	A'	3095	2936	13.29
5	A'	1808	1715	264.52
6	A'	1543	1464	8.72
7	A'	1521	1443	2.53
8	A'	1453	1378	22.07
9	A'	1421	1348	1.03
10	A'	1411	1339	0.89
11	A'	1239	1175	419.53
12	A'	1157	1098	7.81
13	A'	1069	1014	14.35
14	A'	886	840	11.28
15	A'	800	759	3.63
16	A'	390	370	5.75
17	A'	237	225	6.13
18	A"	3198	3034	27.84
19	A"	3163	3001	9.73
20	A"	1505	1428	6.57
21	A"	1327	1258	1.78
22	A"	1205	1143	4.39
23	A"	1056	1002	0.01
24	A"	828	785	0.30
25	A"	352	334	19.95
26	A"	249	236	2.55
27	A"	75	71	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	-2.171	-0.254	0.000
C2	-0.690	-0.557	0.000
O3	0.000	0.710	0.000
C4	1.338	0.611	0.000
O5	1.971	-0.413	0.000
H6	-2.739	-1.188	0.000
H7	-2.444	0.321	0.887
H8	-2.444	0.321	-0.887
H9	-0.387	-1.125	-0.883
H10	-0.387	-1.125	0.883
H11	1.766	1.623	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5113	2.3750	3.6135	4.1450	1.0930	1.0917	1.0917	2.1720	2.1720	4.3608
C2	1.5113		1.4419	2.3398	2.6650	2.1442	2.1523	2.1523	1.0928	1.0928	3.2830
O3	2.3750	1.4419		1.3413	2.2688	3.3321	2.6286	2.6286	2.0725	2.0725	1.9878
C4	3.6135	2.3398	1.3413		1.2048	4.4561	3.8949	3.8949	2.6019	2.6019	1.0981
O5	4.1450	2.6650	2.2688	1.2048		4.7736	4.5627	4.5627	2.6171	2.6171	2.0463
H6	1.0930	2.1442	3.3321	4.4561	4.7736		1.7746	1.7746	2.5128	2.5128	5.3095
H7	1.0917	2.1523	2.6286	3.8949	4.5627	1.7746		1.7738	3.0743	2.5136	4.4946
H8	1.0917	2.1523	2.6286	3.8949	4.5627	1.7746	1.7738		2.5136	3.0743	4.4946
H9	2.1720	1.0928	2.0725	2.6019	2.6171	2.5128	3.0743	2.5136		1.7661	3.6005
H10	2.1720	1.0928	2.0725	2.6019	2.6171	2.5128	2.5136	3.0743	1.7661		3.6005
H11	4.3608	3.2830	1.9878	1.0981	2.0463	5.3095	4.4946	4.4946	3.6005	3.6005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.043	C1	C2	H9	112.036
C1	C2	H10	112.036	C2	C1	H6	109.801
C2	C1	H7	110.519	C2	C1	H8	110.519
C2	O3	C4	114.374	O3	C2	H9	108.922
O3	C2	H10	108.922	O3	C4	O5	125.938
O3	C4	H11	108.738	O5	C4	H11	125.325
H6	C1	H7	108.644	H6	C1	H8	108.644
H7	C1	H8	108.664	H9	C2	H10	107.812

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-311G**

States and conformations

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