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	hartrees
Energy at 0K	-265.911378
Energy at 298.15K	-265.918376
HF Energy	-265.330705
Nuclear repulsion energy	173.541280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3117	3051
2	A'	3055	2991
3	A'	3047	2982
4	A'	3035	2971
5	A'	1628	1594
6	A'	1587	1553
7	A'	1577	1543
8	A'	1477	1446
9	A'	1415	1385
10	A'	1397	1367
11	A'	1149	1124
12	A'	1129	1105
13	A'	1004	983
14	A'	818	801
15	A'	763	746
16	A'	361	353
17	A'	214	209
18	A"	3133	3066
19	A"	3095	3029
20	A"	1567	1534
21	A"	1319	1291
22	A"	1201	1176
23	A"	1019	998
24	A"	845	827
25	A"	331	324
26	A"	233	228
27	A"	16	16

Atom	x (Å)	y (Å)	z (Å)
C1	-2.217	-0.222	0.000
C2	-0.724	-0.586	0.000
O3	0.000	0.732	0.000
C4	1.387	0.618	0.000
O5	2.014	-0.454	0.000
H6	-2.827	-1.136	0.000
H7	-2.455	0.370	0.892
H8	-2.455	0.370	-0.892
H9	-0.431	-1.158	-0.891
H10	-0.431	-1.158	0.891
H11	1.816	1.630	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5367	2.4137	3.7006	4.2368	1.0990	1.0968	1.0968	2.2037	2.2037	4.4379
C2	1.5367		1.5039	2.4303	2.7406	2.1743	2.1696	2.1696	1.0978	1.0978	3.3709
O3	2.4137	1.5039		1.3915	2.3370	3.3890	2.6369	2.6369	2.1330	2.1330	2.0258
C4	3.7006	2.4303	1.3915		1.2424	4.5650	3.9519	3.9519	2.6930	2.6930	1.0991
O5	4.2368	2.7406	2.3370	1.2424		4.8888	4.6308	4.6308	2.6952	2.6952	2.0941
H6	1.0990	2.1743	3.3890	4.5650	4.8888		1.7898	1.7898	2.5565	2.5565	5.4050
H7	1.0968	2.1696	2.6369	3.9519	4.6308	1.7898		1.7830	3.0995	2.5359	4.5412
H8	1.0968	2.1696	2.6369	3.9519	4.6308	1.7898	1.7830		2.5359	3.0995	4.5412
H9	2.2037	1.0978	2.1330	2.6930	2.6952	2.5565	3.0995	2.5359		1.7811	3.6898
H10	2.2037	1.0978	2.1330	2.6930	2.6952	2.5565	2.5359	3.0995	1.7811		3.6898
H11	4.4379	3.3709	2.0258	1.0991	2.0941	5.4050	4.5412	4.5412	3.6898	3.6898

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.080	C1	C2	H9	112.471
C1	C2	H10	112.471	C2	C1	H6	110.055
C2	C1	H7	109.814	C2	C1	H8	109.814
C2	O3	C4	114.089	O3	C2	H9	109.139
O3	C2	H10	109.139	O3	C4	O5	124.975
O3	C4	H11	108.281	O5	C4	H11	126.744
H6	C1	H7	109.195	H6	C1	H8	109.195
H7	C1	H8	108.745	H9	C2	H10	108.431

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

using model chemistry: MP4=FULL/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: MP4=FULL/3-21G

States and conformations

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