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	hartrees
Energy at 0K	-267.809058
Energy at 298.15K	-267.816341
HF Energy	-266.856113
Nuclear repulsion energy	178.627616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3226	3032	9.42
2	A'	3137	2949	9.91
3	A'	3129	2941	7.86
4	A'	3112	2925	53.79
5	A'	1821	1712	248.49
6	A'	1555	1462	8.05
7	A'	1538	1445	2.53
8	A'	1452	1365	15.47
9	A'	1424	1339	1.36
10	A'	1414	1329	2.38
11	A'	1251	1176	380.45
12	A'	1161	1091	8.02
13	A'	1076	1012	15.48
14	A'	887	833	8.03
15	A'	805	757	3.51
16	A'	386	363	5.91
17	A'	234	220	6.65
18	A"	3237	3042	14.04
19	A"	3195	3003	8.07
20	A"	1530	1438	5.65
21	A"	1331	1251	1.09
22	A"	1207	1135	4.46
23	A"	1073	1009	0.10
24	A"	827	777	0.91
25	A"	362	340	18.31
26	A"	252	236	2.13
27	A"	72	68	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	-2.161	-0.247	0.000
C2	-0.686	-0.554	0.000
O3	0.000	0.709	0.000
C4	1.330	0.605	0.000
O5	1.962	-0.418	0.000
H6	-2.734	-1.173	0.000
H7	-2.432	0.327	0.883
H8	-2.432	0.327	-0.883
H9	-0.383	-1.121	-0.879
H10	-0.383	-1.121	0.879
H11	1.762	1.612	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5067	2.3630	3.5934	4.1268	1.0887	1.0876	1.0876	2.1678	2.1678	4.3415
C2	1.5067		1.4377	2.3255	2.6517	2.1392	2.1459	2.1459	1.0893	1.0893	3.2692
O3	2.3630	1.4377		1.3342	2.2632	3.3189	2.6150	2.6150	2.0666	2.0666	1.9803
C4	3.5934	2.3255	1.3342		1.2027	4.4356	3.8739	3.8739	2.5859	2.5859	1.0962
O5	4.1268	2.6517	2.2632	1.2027		4.7563	4.5434	4.5434	2.6015	2.6015	2.0402
H6	1.0887	2.1392	3.3189	4.4356	4.7563		1.7667	1.7667	2.5105	2.5105	5.2888
H7	1.0876	2.1459	2.6150	3.8739	4.5434	1.7667		1.7661	3.0663	2.5091	4.4745
H8	1.0876	2.1459	2.6150	3.8739	4.5434	1.7667	1.7661		2.5091	3.0663	4.4745
H9	2.1678	1.0893	2.0666	2.5859	2.6015	2.5105	3.0663	2.5091		1.7590	3.5843
H10	2.1678	1.0893	2.0666	2.5859	2.6015	2.5105	2.5091	3.0663	1.7590		3.5843
H11	4.3415	3.2692	1.9803	1.0962	2.0402	5.2888	4.4745	4.4745	3.5843	3.5843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.720	C1	C2	H9	112.241
C1	C2	H10	112.241	C2	C1	H6	109.973
C2	C1	H7	110.574	C2	C1	H8	110.574
C2	O3	C4	114.003	O3	C2	H9	108.944
O3	C2	H10	108.944	O3	C4	O5	126.204
O3	C4	H11	108.742	O5	C4	H11	125.054
H6	C1	H7	108.545	H6	C1	H8	108.545
H7	C1	H8	108.569	H9	C2	H10	107.677

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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