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	hartrees
Energy at 0K	-263.650637
Energy at 298.15K	-263.657480
HF Energy	-263.376232
Nuclear repulsion energy	173.047516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3562	3106	0.99
2	A'	3382	2949	1.09
3	A'	3352	2923	4.36
4	A'	3347	2918	22.08
5	A'	1809	1577	104.80
6	A'	1733	1511	4.59
7	A'	1707	1489	5.96
8	A'	1615	1408	1.20
9	A'	1531	1335	45.43
10	A'	1470	1282	7.78
11	A'	1298	1131	101.88
12	A'	1219	1063	32.80
13	A'	1137	991	25.36
14	A'	961	838	7.66
15	A'	766	668	7.36
16	A'	380	331	2.97
17	A'	234	204	2.81
18	A"	3566	3109	1.47
19	A"	3458	3015	7.63
20	A"	1718	1498	1.22
21	A"	1405	1225	0.13
22	A"	1265	1103	7.01
23	A"	961	838	0.07
24	A"	884	771	0.20
25	A"	314	274	9.65
26	A"	205	178	0.46
27	A"	61	53	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-2.225	-0.233	0.000
C2	-0.692	-0.516	0.000
O3	0.000	0.786	0.000
C4	1.399	0.589	0.000
O5	1.979	-0.525	0.000
H6	-2.780	-1.186	0.000
H7	-2.510	0.343	0.896
H8	-2.510	0.343	-0.896
H9	-0.406	-1.113	-0.896
H10	-0.406	-1.113	0.896
H11	1.889	1.598	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5584	2.4468	3.7156	4.2133	1.1032	1.1028	1.1028	2.2104	2.2104	4.5023
C2	1.5584		1.4739	2.3649	2.6707	2.1932	2.2014	2.2014	1.1145	1.1145	3.3355
O3	2.4468	1.4739		1.4127	2.3732	3.4085	2.7018	2.7018	2.1382	2.1382	2.0558
C4	3.7156	2.3649	1.4127		1.2555	4.5406	4.0181	4.0181	2.6374	2.6374	1.1212
O5	4.2133	2.6707	2.3732	1.2555		4.8046	4.6590	4.6590	2.6142	2.6142	2.1241
H6	1.1032	2.1932	3.4085	4.5406	4.8046		1.7929	1.7929	2.5392	2.5392	5.4359
H7	1.1028	2.2014	2.7018	4.0181	4.6590	1.7929		1.7915	3.1243	2.5592	4.6612
H8	1.1028	2.2014	2.7018	4.0181	4.6590	1.7929	1.7915		2.5592	3.1243	4.6612
H9	2.2104	1.1145	2.1382	2.6374	2.6142	2.5392	3.1243	2.5592		1.7928	3.6624
H10	2.2104	1.1145	2.1382	2.6374	2.6142	2.5392	2.5592	3.1243	1.7928		3.6624
H11	4.5023	3.3355	2.0558	1.1212	2.1241	5.4359	4.6612	4.6612	3.6624	3.6624

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.562	C1	C2	H9	110.476
C1	C2	H10	110.476	C2	C1	H6	109.797
C2	C1	H7	110.458	C2	C1	H8	110.458
C2	O3	C4	110.003	O3	C2	H9	110.632
O3	C2	H10	110.632	O3	C4	O5	125.500
O3	C4	H11	107.901	O5	C4	H11	126.599
H6	C1	H7	108.727	H6	C1	H8	108.727
H7	C1	H8	108.629	H9	C2	H10	107.089

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

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

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