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	hartrees
Energy at 0K	-265.874667
Energy at 298.15K	-265.881795
HF Energy	-265.334650
Nuclear repulsion energy	174.653182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3125	3038	19.22
2	A'	3084	2998	58.56
3	A'	3066	2981	11.84
4	A'	3057	2972	11.60
5	A'	1759	1711	172.05
6	A'	1599	1555	7.54
7	A'	1582	1538	4.62
8	A'	1483	1442	8.12
9	A'	1441	1401	2.68
10	A'	1437	1397	14.06
11	A'	1195	1162	367.71
12	A'	1155	1123	31.42
13	A'	1021	993	4.21
14	A'	854	830	10.23
15	A'	791	769	5.28
16	A'	370	360	8.13
17	A'	221	215	6.87
18	A"	3137	3050	29.79
19	A"	3101	3015	11.75
20	A"	1570	1527	4.90
21	A"	1332	1295	0.00
22	A"	1216	1183	6.13
23	A"	1053	1024	0.02
24	A"	853	830	0.74
25	A"	321	312	27.20
26	A"	235	228	3.93
27	A"	53	52	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	-2.210	-0.237	0.000
C2	-0.716	-0.591	0.000
O3	0.000	0.713	0.000
C4	1.375	0.627	0.000
O5	2.010	-0.420	0.000
H6	-2.817	-1.152	0.000
H7	-2.450	0.355	0.891
H8	-2.450	0.355	-0.891
H9	-0.426	-1.165	-0.889
H10	-0.426	-1.165	0.889
H11	1.798	1.637	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5357	2.4055	3.6874	4.2238	1.0981	1.0965	1.0965	2.1987	2.1987	4.4246
C2	1.5357		1.4876	2.4196	2.7309	2.1746	2.1676	2.1676	1.0973	1.0973	3.3594
O3	2.4055	1.4876		1.3774	2.3072	3.3783	2.6318	2.6318	2.1212	2.1212	2.0217
C4	3.6874	2.4196	1.3774		1.2248	4.5535	3.9369	3.9369	2.6919	2.6919	1.0954
O5	4.2238	2.7309	2.3072	1.2248		4.8817	4.6139	4.6139	2.6981	2.6981	2.0685
H6	1.0981	2.1746	3.3783	4.5535	4.8817		1.7890	1.7890	2.5506	2.5506	5.3924
H7	1.0965	2.1676	2.6318	3.9369	4.6139	1.7890		1.7822	3.0949	2.5315	4.5262
H8	1.0965	2.1676	2.6318	3.9369	4.6139	1.7890	1.7822		2.5315	3.0949	4.5262
H9	2.1987	1.0973	2.1212	2.6919	2.6981	2.5506	3.0949	2.5315		1.7786	3.6868
H10	2.1987	1.0973	2.1212	2.6919	2.6981	2.5506	2.5315	3.0949	1.7786		3.6868
H11	4.4246	3.3594	2.0217	1.0954	2.0685	5.3924	4.5262	4.5262	3.6868	3.6868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.422	C1	C2	H9	112.172
C1	C2	H10	112.172	C2	C1	H6	110.200
C2	C1	H7	109.745	C2	C1	H8	109.745
C2	O3	C4	115.187	O3	C2	H9	109.362
O3	C2	H10	109.362	O3	C4	O5	124.805
O3	C4	H11	109.156	O5	C4	H11	126.039
H6	C1	H7	109.207	H6	C1	H8	109.207
H7	C1	H8	108.711	H9	C2	H10	108.282

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

using model chemistry: CCD/3-21G

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: CCD/3-21G

States and conformations

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