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	hartrees
Energy at 0K	-268.009585
Energy at 298.15K	-268.016864
HF Energy	-266.927339
Nuclear repulsion energy	178.532720

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3190	3007	12.34
2	A'	3116	2937	40.13
3	A'	3110	2932	16.11
4	A'	3098	2920	10.91
5	A'	1787	1685	312.47
6	A'	1541	1453	9.92
7	A'	1523	1436	2.64
8	A'	1441	1358	15.23
9	A'	1414	1333	1.73
10	A'	1406	1326	2.03
11	A'	1243	1172	415.17
12	A'	1152	1086	6.41
13	A'	1064	1003	18.19
14	A'	877	826	10.86
15	A'	796	751	2.79
16	A'	387	365	5.20
17	A'	232	219	7.12
18	A"	3199	3016	19.45
19	A"	3163	2982	5.06
20	A"	1511	1424	7.10
21	A"	1319	1244	1.56
22	A"	1196	1128	3.66
23	A"	1054	994	0.05
24	A"	824	777	0.71
25	A"	356	336	20.32
26	A"	250	236	2.72
27	A"	78	73	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	-2.164	-0.259	0.000
C2	-0.691	-0.560	0.000
O3	0.000	0.702	0.000
C4	1.331	0.617	0.000
O5	1.970	-0.402	0.000
H6	-2.728	-1.188	0.000
H7	-2.440	0.312	0.882
H8	-2.440	0.312	-0.882
H9	-0.385	-1.123	-0.880
H10	-0.385	-1.123	0.880
H11	1.759	1.623	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5036	2.3676	3.6026	4.1361	1.0871	1.0862	1.0862	2.1642	2.1642	4.3506
C2	1.5036		1.4386	2.3390	2.6651	2.1322	2.1442	2.1442	1.0879	1.0879	3.2809
O3	2.3676	1.4386		1.3335	2.2583	3.3190	2.6236	2.6236	2.0619	2.0619	1.9852
C4	3.6026	2.3390	1.3335		1.2029	4.4422	3.8845	3.8845	2.5967	2.5967	1.0933
O5	4.1361	2.6651	2.2583	1.2029		4.7633	4.5534	4.5534	2.6149	2.6149	2.0362
H6	1.0871	2.1322	3.3190	4.4422	4.7633		1.7636	1.7636	2.5037	2.5037	5.2947
H7	1.0862	2.1442	2.6236	3.8845	4.5534	1.7636		1.7641	3.0632	2.5060	4.4862
H8	1.0862	2.1442	2.6236	3.8845	4.5534	1.7636	1.7641		2.5060	3.0632	4.4862
H9	2.1642	1.0879	2.0619	2.5967	2.6149	2.5037	3.0632	2.5060		1.7590	3.5926
H10	2.1642	1.0879	2.0619	2.5967	2.6149	2.5037	2.5060	3.0632	1.7590		3.5926
H11	4.3506	3.2809	1.9852	1.0933	2.0362	5.2947	4.4862	4.4862	3.5926	3.5926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.137	C1	C2	H9	112.261
C1	C2	H10	112.261	C2	C1	H6	109.724
C2	C1	H7	110.745	C2	C1	H8	110.745
C2	O3	C4	115.022	O3	C2	H9	108.592
O3	C2	H10	108.592	O3	C4	O5	125.756
O3	C4	H11	109.377	O5	C4	H11	124.867
H6	C1	H7	108.483	H6	C1	H8	108.483
H7	C1	H8	108.596	H9	C2	H10	107.889

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

using model chemistry: MP2=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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