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	hartrees
Energy at 0K	-267.614998
Energy at 298.15K	-267.622259
HF Energy	-266.835217
Nuclear repulsion energy	177.433644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3240	3034	16.15
2	A'	3157	2956	52.32
3	A'	3152	2952	23.63
4	A'	3143	2943	11.89
5	A'	1812	1696	243.86
6	A'	1575	1475	5.90
7	A'	1558	1459	2.24
8	A'	1478	1384	17.57
9	A'	1434	1343	0.83
10	A'	1430	1339	7.82
11	A'	1247	1167	403.91
12	A'	1170	1096	6.96
13	A'	1072	1004	14.08
14	A'	884	828	11.72
15	A'	795	745	3.85
16	A'	388	363	5.93
17	A'	234	219	6.91
18	A"	3252	3045	23.76
19	A"	3211	3007	12.69
20	A"	1547	1449	4.72
21	A"	1330	1245	0.66
22	A"	1219	1141	4.95
23	A"	1050	983	0.20
24	A"	834	781	0.28
25	A"	356	333	20.95
26	A"	253	237	2.76
27	A"	68	64	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	-2.175	-0.244	0.000
C2	-0.698	-0.558	0.000
O3	0.000	0.713	0.000
C4	1.343	0.610	0.000
O5	1.978	-0.426	0.000
H6	-2.748	-1.170	0.000
H7	-2.443	0.330	0.884
H8	-2.443	0.330	-0.884
H9	-0.396	-1.124	-0.880
H10	-0.396	-1.124	0.880
H11	1.778	1.615	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5094	2.3759	3.6199	4.1568	1.0890	1.0876	1.0876	2.1710	2.1710	4.3675
C2	1.5094		1.4497	2.3516	2.6795	2.1395	2.1481	2.1481	1.0896	1.0896	3.2936
O3	2.3759	1.4497		1.3470	2.2827	3.3313	2.6260	2.6260	2.0749	2.0749	1.9932
C4	3.6199	2.3516	1.3470		1.2154	4.4617	3.8980	3.8980	2.6087	2.6087	1.0943
O5	4.1568	2.6795	2.2827	1.2154		4.7845	4.5718	4.5718	2.6263	2.6263	2.0504
H6	1.0890	2.1395	3.3313	4.4617	4.7845		1.7677	1.7677	2.5122	2.5122	5.3138
H7	1.0876	2.1481	2.6260	3.8980	4.5718	1.7677		1.7671	3.0689	2.5113	4.4994
H8	1.0876	2.1481	2.6260	3.8980	4.5718	1.7677	1.7671		2.5113	3.0689	4.4994
H9	2.1710	1.0896	2.0749	2.6087	2.6263	2.5122	3.0689	2.5113		1.7609	3.6052
H10	2.1710	1.0896	2.0749	2.6087	2.6263	2.5122	2.5113	3.0689	1.7609		3.6052
H11	4.3675	3.2936	1.9932	1.0943	2.0504	5.3138	4.4994	4.4994	3.6052	3.6052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.804	C1	C2	H9	112.294
C1	C2	H10	112.294	C2	C1	H6	109.796
C2	C1	H7	110.561	C2	C1	H8	110.561
C2	O3	C4	114.415	O3	C2	H9	108.769
O3	C2	H10	108.769	O3	C4	O5	125.877
O3	C4	H11	109.026	O5	C4	H11	125.097
H6	C1	H7	108.608	H6	C1	H8	108.608
H7	C1	H8	108.653	H9	C2	H10	107.818

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

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

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