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	hartrees
Energy at 0K	-267.641685
Energy at 298.15K	-267.648943
HF Energy	-266.846353
Nuclear repulsion energy	177.277002

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3206	3047	14.68
2	A'	3112	2958	2.43
3	A'	3109	2955	82.93
4	A'	3103	2949	14.87
5	A'	1815	1725	254.57
6	A'	1522	1447	6.86
7	A'	1501	1427	2.15
8	A'	1435	1363	20.21
9	A'	1407	1337	0.48
10	A'	1389	1320	1.99
11	A'	1234	1173	414.89
12	A'	1148	1091	8.22
13	A'	1068	1015	16.08
14	A'	878	835	10.12
15	A'	795	755	3.74
16	A'	385	366	5.95
17	A'	234	223	5.77
18	A"	3214	3055	22.01
19	A"	3171	3013	14.78
20	A"	1486	1413	6.06
21	A"	1305	1240	1.35
22	A"	1189	1130	4.61
23	A"	1049	997	0.05
24	A"	816	775	0.51
25	A"	354	336	18.32
26	A"	250	238	2.45
27	A"	74	70	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	-2.175	-0.249	0.000
C2	-0.692	-0.555	0.000
O3	0.000	0.714	0.000
C4	1.343	0.609	0.000
O5	1.974	-0.424	0.000
H6	-2.752	-1.186	0.000
H7	-2.450	0.332	0.893
H8	-2.450	0.332	-0.893
H9	-0.388	-1.131	-0.889
H10	-0.388	-1.131	0.889
H11	1.778	1.628	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5141	2.3787	3.6211	4.1531	1.1008	1.1001	1.1001	2.1820	2.1820	4.3758
C2	1.5141		1.4456	2.3444	2.6697	2.1543	2.1622	2.1622	1.1018	1.1018	3.2962
O3	2.3787	1.4456		1.3471	2.2790	3.3444	2.6358	2.6358	2.0843	2.0843	1.9990
C4	3.6211	2.3444	1.3471		1.2108	4.4711	3.9068	3.9068	2.6101	2.6101	1.1076
O5	4.1531	2.6697	2.2790	1.2108		4.7873	4.5768	4.5768	2.6210	2.6210	2.0611
H6	1.1008	2.1543	3.3444	4.4711	4.7873		1.7871	1.7871	2.5260	2.5260	5.3328
H7	1.1001	2.1622	2.6358	3.9068	4.5768	1.7871		1.7855	3.0930	2.5285	4.5117
H8	1.1001	2.1622	2.6358	3.9068	4.5768	1.7871	1.7855		2.5285	3.0930	4.5117
H9	2.1820	1.1018	2.0843	2.6101	2.6210	2.5260	3.0930	2.5285		1.7772	3.6180
H10	2.1820	1.1018	2.0843	2.6101	2.6210	2.5260	2.5285	3.0930	1.7772		3.6180
H11	4.3758	3.2962	1.9990	1.1076	2.0611	5.3328	4.5117	4.5117	3.6180	3.6180

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.944	C1	C2	H9	112.089
C1	C2	H10	112.089	C2	C1	H6	109.935
C2	C1	H7	110.601	C2	C1	H8	110.601
C2	O3	C4	114.127	O3	C2	H9	109.071
O3	C2	H10	109.071	O3	C4	O5	125.910
O3	C4	H11	108.653	O5	C4	H11	125.437
H6	C1	H7	108.577	H6	C1	H8	108.577
H7	C1	H8	108.492	H9	C2	H10	107.521

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

using model chemistry: MP2=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

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