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	hartrees
Energy at 0K	-266.900547
Energy at 298.15K	-266.907980
HF Energy	-266.900547
Nuclear repulsion energy	179.502684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3242	2945	43.95	67.03	0.63	0.77
2	A'	3236	2940	74.17	113.99	0.23	0.38
3	A'	3215	2921	13.96	110.09	0.18	0.31
4	A'	3174	2884	22.41	117.48	0.01	0.02
5	A'	1987	1805	427.99	5.16	0.34	0.50
6	A'	1649	1498	7.05	2.86	0.67	0.80
7	A'	1617	1469	2.96	12.75	0.74	0.85
8	A'	1564	1421	18.89	3.63	0.45	0.62
9	A'	1535	1394	4.72	4.09	0.48	0.65
10	A'	1518	1379	0.15	0.13	0.69	0.82
11	A'	1361	1237	572.13	1.56	0.15	0.27
12	A'	1230	1118	18.02	5.71	0.18	0.30
13	A'	1110	1009	19.07	5.08	0.71	0.83
14	A'	944	858	21.03	7.24	0.32	0.48
15	A'	857	779	3.22	4.39	0.44	0.61
16	A'	410	372	6.85	1.67	0.36	0.53
17	A'	244	222	9.14	0.40	0.39	0.56
18	A"	3269	2970	65.29	5.39	0.75	0.86
19	A"	3239	2942	4.50	109.67	0.75	0.86
20	A"	1601	1454	5.51	10.85	0.75	0.86
21	A"	1417	1287	2.41	7.25	0.75	0.86
22	A"	1287	1169	5.58	0.30	0.75	0.86
23	A"	1188	1079	3.48	2.06	0.75	0.86
24	A"	874	794	0.04	0.12	0.75	0.86
25	A"	351	319	28.97	1.39	0.75	0.86
26	A"	256	232	4.99	0.70	0.75	0.86
27	A"	74	68	0.89	0.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.167	-0.297	0.000
C2	-0.683	-0.586	0.000
O3	0.000	0.667	0.000
C4	1.314	0.644	0.000
O5	1.987	-0.323	0.000
H6	-2.723	-1.230	0.000
H7	-2.447	0.271	0.880
H8	-2.447	0.271	-0.880
H9	-0.383	-1.147	-0.876
H10	-0.383	-1.147	0.876
H11	1.703	1.659	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5118	2.3719	3.6057	4.1539	1.0857	1.0845	1.0845	2.1611	2.1611	4.3361
C2	1.5118		1.4271	2.3451	2.6827	2.1391	2.1498	2.1498	1.0826	1.0826	3.2759
O3	2.3719	1.4271		1.3140	2.2199	3.3185	2.6306	2.6306	2.0510	2.0510	1.9706
C4	3.6057	2.3451	1.3140		1.1781	4.4503	3.8805	3.8805	2.6185	2.6185	1.0871
O5	4.1539	2.6827	2.2199	1.1781		4.7962	4.5594	4.5594	2.6581	2.6581	2.0022
H6	1.0857	2.1391	3.3185	4.4503	4.7962		1.7616	1.7616	2.4993	2.4993	5.2850
H7	1.0845	2.1498	2.6306	3.8805	4.5594	1.7616		1.7601	3.0585	2.5043	4.4635
H8	1.0845	2.1498	2.6306	3.8805	4.5594	1.7616	1.7601		2.5043	3.0585	4.4635
H9	2.1611	1.0826	2.0510	2.6185	2.6581	2.4993	3.0585	2.5043		1.7516	3.6049
H10	2.1611	1.0826	2.0510	2.6185	2.6581	2.4993	2.5043	3.0585	1.7516		3.6049
H11	4.3361	3.2759	1.9706	1.0871	2.0022	5.2850	4.4635	4.4635	3.6049	3.6049

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.584	C1	C2	H9	111.752
C1	C2	H10	111.752	C2	C1	H6	109.793
C2	C1	H7	110.717	C2	C1	H8	110.717
C2	O3	C4	117.580	O3	C2	H9	108.846
O3	C2	H10	108.846	O3	C4	O5	125.855
O3	C4	H11	109.954	O5	C4	H11	124.192
H6	C1	H7	108.533	H6	C1	H8	108.533
H7	C1	H8	108.484	H9	C2	H10	107.994

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.252
2	C	0.070
3	O	-0.422
4	C	0.446
5	O	-0.437
6	H	0.094
7	H	0.100
8	H	0.100
9	H	0.104
10	H	0.104
11	H	0.094

	x	y	z	Total
	-2.044	0.694	0.000	2.158
CHELPG
AIM
ESP

	x	y	z
x	6.431	0.101	0.000
y	0.101	5.477	0.000
z	0.000	0.000	4.301

<r²>	134.238
(<r²>)^1/2	11.586

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

using model chemistry: HF/6-311G**

States and conformations

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