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	hartrees
Energy at 0K	-267.579125
Energy at 298.15K	-267.586499
HF Energy	-266.890974
Nuclear repulsion energy	179.173128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	3005	28.41
2	A'	3196	2969	58.51
3	A'	3185	2960	22.48
4	A'	3155	2931	16.86
5	A'	1933	1796	361.32
6	A'	1607	1493	8.64
7	A'	1579	1467	3.33
8	A'	1519	1411	22.13
9	A'	1485	1380	2.67
10	A'	1477	1372	0.23
11	A'	1322	1229	488.43
12	A'	1202	1117	13.73
13	A'	1105	1026	16.62
14	A'	926	860	13.25
15	A'	837	778	4.44
16	A'	403	374	6.77
17	A'	243	226	7.85
18	A"	3249	3018	49.80
19	A"	3225	2996	0.71
20	A"	1566	1455	7.55
21	A"	1380	1282	1.68
22	A"	1252	1163	5.25
23	A"	1121	1041	0.98
24	A"	850	790	0.23
25	A"	352	327	26.00
26	A"	252	234	3.50
27	A"	79	74	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	-2.164	-0.277	0.000
C2	-0.684	-0.569	0.000
O3	0.000	0.687	0.000
C4	1.322	0.627	0.000
O5	1.974	-0.366	0.000
H6	-2.727	-1.207	0.000
H7	-2.443	0.294	0.881
H8	-2.443	0.294	-0.881
H9	-0.381	-1.133	-0.878
H10	-0.381	-1.133	0.878
H11	1.736	1.637	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5088	2.3689	3.6011	4.1390	1.0874	1.0863	1.0863	2.1641	2.1641	4.3440
C2	1.5088		1.4300	2.3351	2.6655	2.1405	2.1487	2.1487	1.0863	1.0863	3.2742
O3	2.3689	1.4300		1.3232	2.2373	3.3201	2.6268	2.6268	2.0561	2.0561	1.9788
C4	3.6011	2.3351	1.3232		1.1879	4.4448	3.8811	3.8811	2.6013	2.6013	1.0917
O5	4.1390	2.6655	2.2373	1.1879		4.7756	4.5524	4.5524	2.6275	2.6275	2.0172
H6	1.0874	2.1405	3.3201	4.4448	4.7756		1.7635	1.7635	2.5060	2.5060	5.2919
H7	1.0863	2.1487	2.6268	3.8811	4.5524	1.7635		1.7623	3.0632	2.5080	4.4770
H8	1.0863	2.1487	2.6268	3.8811	4.5524	1.7635	1.7623		2.5080	3.0632	4.4770
H9	2.1641	1.0863	2.0561	2.6013	2.6275	2.5060	3.0632	2.5080		1.7551	3.5949
H10	2.1641	1.0863	2.0561	2.6013	2.6275	2.5060	2.5080	3.0632	1.7551		3.5949
H11	4.3440	3.2742	1.9788	1.0917	2.0172	5.2919	4.4770	4.4770	3.5949	3.5949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.395	C1	C2	H9	111.976
C1	C2	H10	111.976	C2	C1	H6	110.011
C2	C1	H7	110.728	C2	C1	H8	110.728
C2	O3	C4	115.965	O3	C2	H9	108.825
O3	C2	H10	108.825	O3	C4	O5	125.898
O3	C4	H11	109.678	O5	C4	H11	124.424
H6	C1	H7	108.445	H6	C1	H8	108.445
H7	C1	H8	108.413	H9	C2	H10	107.768

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

using model chemistry: CID/6-311G*

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: CID/6-311G*

States and conformations

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