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	hartrees
Energy at 0K	-268.361343
Energy at 298.15K	-268.368542
HF Energy	-268.361343
Nuclear repulsion energy	178.162884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	3142	27.55
2	A'	3079	3079	11.10
3	A'	3070	3070	79.64
4	A'	3061	3061	19.54
5	A'	1856	1856	330.81
6	A'	1537	1537	9.33
7	A'	1518	1518	3.11
8	A'	1451	1451	20.55
9	A'	1421	1421	1.51
10	A'	1411	1411	0.13
11	A'	1254	1254	429.72
12	A'	1152	1152	13.04
13	A'	1055	1055	20.29
14	A'	882	882	12.95
15	A'	807	807	2.51
16	A'	389	389	6.62
17	A'	232	232	7.22
18	A"	3147	3147	47.44
19	A"	3120	3120	4.17
20	A"	1510	1510	8.61
21	A"	1322	1322	1.41
22	A"	1194	1194	5.04
23	A"	1041	1041	0.23
24	A"	819	819	0.70
25	A"	345	345	22.34
26	A"	234	234	2.74
27	A"	59	59	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	-2.173	-0.279	0.000
C2	-0.691	-0.570	0.000
O3	0.000	0.693	0.000
C4	1.330	0.629	0.000
O5	1.986	-0.371	0.000
H6	-2.736	-1.216	0.000
H7	-2.458	0.293	0.886
H8	-2.458	0.293	-0.886
H9	-0.385	-1.137	-0.882
H10	-0.385	-1.137	0.882
H11	1.741	1.649	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5102	2.3804	3.6188	4.1604	1.0927	1.0920	1.0920	2.1709	2.1709	4.3626
C2	1.5102		1.4396	2.3502	2.6849	2.1438	2.1565	2.1565	1.0926	1.0926	3.2920
O3	2.3804	1.4396		1.3313	2.2530	3.3354	2.6431	2.6431	2.0677	2.0677	1.9859
C4	3.6188	2.3502	1.3313		1.1963	4.4645	3.9046	3.9046	2.6153	2.6153	1.0990
O5	4.1604	2.6849	2.2530	1.1963		4.7967	4.5800	4.5800	2.6435	2.6435	2.0345
H6	1.0927	2.1438	3.3354	4.4645	4.7967		1.7711	1.7711	2.5119	2.5119	5.3142
H7	1.0920	2.1565	2.6431	3.9046	4.5800	1.7711		1.7715	3.0770	2.5185	4.5001
H8	1.0920	2.1565	2.6431	3.9046	4.5800	1.7711	1.7715		2.5185	3.0770	4.5001
H9	2.1709	1.0926	2.0677	2.6153	2.6435	2.5119	3.0770	2.5185		1.7643	3.6136
H10	2.1709	1.0926	2.0677	2.6153	2.6435	2.5119	2.5185	3.0770	1.7643		3.6136
H11	4.3626	3.2920	1.9859	1.0990	2.0345	5.3142	4.5001	4.5001	3.6136	3.6136

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.577	C1	C2	H9	112.039
C1	C2	H10	112.039	C2	C1	H6	109.856
C2	C1	H7	110.914	C2	C1	H8	110.914
C2	O3	C4	115.975	O3	C2	H9	108.710
O3	C2	H10	108.710	O3	C4	O5	125.999
O3	C4	H11	109.221	O5	C4	H11	124.780
H6	C1	H7	108.330	H6	C1	H8	108.330
H7	C1	H8	108.415	H9	C2	H10	107.680

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

using model chemistry: wB97X-D/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	-0.661
2	C	-0.251
3	O	-0.281
4	C	0.189
5	O	-0.338
6	H	0.225
7	H	0.229
8	H	0.229
9	H	0.230
10	H	0.230
11	H	0.199

	x	y	z	Total
	-1.986	0.552	0.000	2.062
CHELPG
AIM
ESP

	x	y	z
x	7.050	0.178	0.000
y	0.178	5.794	0.000
z	0.000	0.000	4.475

<r²>	135.103
(<r²>)^1/2	11.623

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

using model chemistry: wB97X-D/6-311G*

States and conformations

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