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	hartrees
Energy at 0K	-264.622427
Energy at 298.15K	-264.629195
HF Energy	-264.622427
Nuclear repulsion energy	173.881957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3541	3127	0.03
2	A'	3367	2973	0.21
3	A'	3334	2945	2.97
4	A'	3288	2904	12.89
5	A'	1899	1677	110.03
6	A'	1695	1497	5.39
7	A'	1665	1470	5.63
8	A'	1580	1396	3.86
9	A'	1486	1312	28.76
10	A'	1450	1280	7.62
11	A'	1272	1123	111.05
12	A'	1203	1063	31.25
13	A'	1127	995	14.85
14	A'	949	838	4.45
15	A'	764	675	5.90
16	A'	374	330	3.53
17	A'	227	200	3.57
18	A"	3545	3130	0.18
19	A"	3439	3037	3.24
20	A"	1680	1484	3.93
21	A"	1368	1208	0.00
22	A"	1233	1089	6.74
23	A"	959	847	0.18
24	A"	866	765	1.85
25	A"	332	293	10.40
26	A"	200	176	0.45
27	A"	36	32	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-2.212	-0.236	0.000
C2	-0.696	-0.518	0.000
O3	0.000	0.782	0.000
C4	1.396	0.586	0.000
O5	1.970	-0.516	0.000
H6	-2.764	-1.185	0.000
H7	-2.496	0.337	0.892
H8	-2.496	0.337	-0.892
H9	-0.404	-1.106	-0.894
H10	-0.404	-1.106	0.894
H11	1.873	1.599	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5419	2.4347	3.6998	4.1912	1.0979	1.0975	1.0975	2.1965	2.1965	4.4778
C2	1.5419		1.4750	2.3652	2.6661	2.1726	2.1833	2.1833	1.1090	1.1090	3.3290
O3	2.4347	1.4750		1.4094	2.3593	3.3922	2.6874	2.6874	2.1277	2.1277	2.0432
C4	3.6998	2.3652	1.4094		1.2424	4.5206	4.0000	4.0000	2.6267	2.6267	1.1201
O5	4.1912	2.6661	2.3593	1.2424		4.7809	4.6333	4.6333	2.6045	2.6045	2.1174
H6	1.0979	2.1726	3.3922	4.5206	4.7809		1.7844	1.7844	2.5248	2.5248	5.4081
H7	1.0975	2.1833	2.6874	4.0000	4.6333	1.7844		1.7836	3.1061	2.5414	4.6337
H8	1.0975	2.1833	2.6874	4.0000	4.6333	1.7844	1.7836		2.5414	3.1061	4.6337
H9	2.1965	1.1090	2.1277	2.6267	2.6045	2.5248	3.1061	2.5414		1.7880	3.6470
H10	2.1965	1.1090	2.1277	2.6267	2.6045	2.5248	2.5414	3.1061	1.7880		3.6470
H11	4.4778	3.3290	2.0432	1.1201	2.1174	5.4081	4.6337	4.6337	3.6470	3.6470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.597	C1	C2	H9	110.855
C1	C2	H10	110.855	C2	C1	H6	109.629
C2	C1	H7	110.491	C2	C1	H8	110.491
C2	O3	C4	110.149	O3	C2	H9	110.053
O3	C2	H10	110.053	O3	C4	O5	125.544
O3	C4	H11	107.197	O5	C4	H11	127.259
H6	C1	H7	108.741	H6	C1	H8	108.741
H7	C1	H8	108.703	H9	C2	H10	107.442

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

using model chemistry: HSEh1PBE/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	-0.236
2	C	-0.049
3	O	-0.169
4	C	0.139
5	O	-0.208
6	H	0.088
7	H	0.089
8	H	0.089
9	H	0.089
10	H	0.089
11	H	0.078

	x	y	z	Total
	-1.288	0.179	0.000	1.301
CHELPG
AIM
ESP

	x	y	z
x	4.286	0.181	0.000
y	0.181	3.162	0.000
z	0.000	0.000	1.955

<r²>	137.205
(<r²>)^1/2	11.713

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

using model chemistry: HSEh1PBE/STO-3G

States and conformations

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