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	hartrees
Energy at 0K	-264.858813
Energy at 298.15K	-264.865488
HF Energy	-264.858813
Nuclear repulsion energy	172.684479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3486	3111	0.27
2	A'	3319	2962	0.45
3	A'	3283	2930	3.44
4	A'	3230	2883	15.87
5	A'	1848	1649	105.89
6	A'	1683	1502	4.50
7	A'	1650	1473	5.95
8	A'	1567	1398	1.64
9	A'	1465	1307	32.70
10	A'	1429	1275	6.66
11	A'	1237	1104	87.52
12	A'	1174	1048	51.18
13	A'	1095	977	12.81
14	A'	925	826	5.05
15	A'	747	667	5.60
16	A'	365	326	3.14
17	A'	221	198	3.44
18	A"	3491	3116	0.64
19	A"	3386	3022	4.39
20	A"	1670	1490	3.44
21	A"	1351	1206	0.01
22	A"	1215	1084	6.22
23	A"	936	835	0.27
24	A"	858	766	1.51
25	A"	325	290	9.96
26	A"	193	173	0.38
27	A"	27	24	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	-2.229	-0.235	0.000
C2	-0.703	-0.525	0.000
O3	0.000	0.787	0.000
C4	1.408	0.589	0.000
O5	1.986	-0.518	0.000
H6	-2.786	-1.185	0.000
H7	-2.511	0.341	0.894
H8	-2.511	0.341	-0.894
H9	-0.411	-1.113	-0.897
H10	-0.411	-1.113	0.897
H11	1.884	1.606	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5533	2.4520	3.7292	4.2245	1.1009	1.1004	1.1004	2.2092	2.2092	4.5064
C2	1.5533		1.4886	2.3871	2.6890	2.1847	2.1949	2.1949	1.1118	1.1118	3.3522
O3	2.4520	1.4886		1.4220	2.3765	3.4129	2.7022	2.7022	2.1411	2.1411	2.0546
C4	3.7292	2.3871	1.4220		1.2489	4.5535	4.0271	4.0271	2.6481	2.6481	1.1233
O5	4.2245	2.6890	2.3765	1.2489		4.8182	4.6645	4.6645	2.6280	2.6280	2.1271
H6	1.1009	2.1847	3.4129	4.5535	4.8182		1.7897	1.7897	2.5396	2.5396	5.4404
H7	1.1004	2.1949	2.7022	4.0271	4.6645	1.7897		1.7889	3.1196	2.5537	4.6599
H8	1.1004	2.1949	2.7022	4.0271	4.6645	1.7897	1.7889		2.5537	3.1196	4.6599
H9	2.2092	1.1118	2.1411	2.6481	2.6280	2.5396	3.1196	2.5537		1.7948	3.6701
H10	2.2092	1.1118	2.1411	2.6481	2.6280	2.5396	2.5537	3.1196	1.7948		3.6701
H11	4.5064	3.3522	2.0546	1.1233	2.1271	5.4404	4.6599	4.6599	3.6701	3.6701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.408	C1	C2	H9	110.894
C1	C2	H10	110.894	C2	C1	H6	109.619
C2	C1	H7	110.441	C2	C1	H8	110.441
C2	O3	C4	110.177	O3	C2	H9	110.007
O3	C2	H10	110.007	O3	C4	O5	125.568
O3	C4	H11	107.068	O5	C4	H11	127.365
H6	C1	H7	108.777	H6	C1	H8	108.777
H7	C1	H8	108.744	H9	C2	H10	107.645

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

using model chemistry: B3LYP/STO-3G

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	-0.221
2	C	-0.041
3	O	-0.168
4	C	0.143
5	O	-0.206
6	H	0.083
7	H	0.084
8	H	0.084
9	H	0.085
10	H	0.085
11	H	0.074

	x	y	z	Total
	-1.283	0.163	0.000	1.293
CHELPG
AIM
ESP

	x	y	z
x	4.462	0.213	0.000
y	0.213	3.239	0.000
z	0.000	0.000	1.999

<r²>	139.004
(<r²>)^1/2	11.790

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

using model chemistry: B3LYP/STO-3G

States and conformations

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