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	hartrees
Energy at 0K	-268.010410
Energy at 298.15K	-268.017677
HF Energy	-266.933128
Nuclear repulsion energy	178.567452

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	3020	12.18
2	A'	3109	2958	8.06
3	A'	3103	2952	47.66
4	A'	3093	2943	10.96
5	A'	1779	1692	308.59
6	A'	1542	1467	8.60
7	A'	1527	1453	2.62
8	A'	1443	1373	16.92
9	A'	1408	1340	0.08
10	A'	1404	1335	4.01
11	A'	1236	1176	412.13
12	A'	1153	1097	6.58
13	A'	1062	1010	18.40
14	A'	873	830	11.66
15	A'	793	754	2.48
16	A'	385	367	5.16
17	A'	232	220	7.20
18	A"	3182	3028	19.86
19	A"	3151	2998	4.39
20	A"	1516	1443	6.71
21	A"	1324	1260	1.41
22	A"	1199	1141	3.82
23	A"	1070	1018	0.09
24	A"	823	783	0.65
25	A"	355	338	20.58
26	A"	243	232	1.96
27	A"	76	72	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	-2.162	-0.259	0.000
C2	-0.690	-0.557	0.000
O3	0.000	0.708	0.000
C4	1.332	0.614	0.000
O5	1.966	-0.409	0.000
H6	-2.722	-1.190	0.000
H7	-2.437	0.311	0.883
H8	-2.437	0.311	-0.883
H9	-0.385	-1.116	-0.880
H10	-0.385	-1.116	0.880
H11	1.761	1.617	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5012	2.3680	3.6007	4.1301	1.0869	1.0859	1.0859	2.1604	2.1604	4.3483
C2	1.5012		1.4408	2.3364	2.6601	2.1280	2.1406	2.1406	1.0868	1.0868	3.2763
O3	2.3680	1.4408		1.3348	2.2610	3.3184	2.6220	2.6220	2.0615	2.0615	1.9820
C4	3.6007	2.3364	1.3348		1.2040	4.4369	3.8822	3.8822	2.5911	2.5911	1.0906
O5	4.1301	2.6601	2.2610	1.2040		4.7521	4.5475	4.5475	2.6074	2.6074	2.0360
H6	1.0869	2.1280	3.3184	4.4369	4.7521		1.7646	1.7646	2.4985	2.4985	5.2894
H7	1.0859	2.1406	2.6220	3.8822	4.5475	1.7646		1.7650	3.0586	2.4996	4.4844
H8	1.0859	2.1406	2.6220	3.8822	4.5475	1.7646	1.7650		2.4996	3.0586	4.4844
H9	2.1604	1.0868	2.0615	2.5911	2.6074	2.4985	3.0586	2.4996		1.7604	3.5844
H10	2.1604	1.0868	2.0615	2.5911	2.6074	2.4985	2.4996	3.0586	1.7604		3.5844
H11	4.3483	3.2763	1.9820	1.0906	2.0360	5.2894	4.4844	4.4844	3.5844	3.5844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.183	C1	C2	H9	112.198
C1	C2	H10	112.198	C2	C1	H6	109.572
C2	C1	H7	110.640	C2	C1	H8	110.640
C2	O3	C4	114.597	O3	C2	H9	108.485
O3	C2	H10	108.485	O3	C4	O5	125.813
O3	C4	H11	109.186	O5	C4	H11	125.001
H6	C1	H7	108.608	H6	C1	H8	108.608
H7	C1	H8	108.719	H9	C2	H10	108.173

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

using model chemistry: MP2=FULL/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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