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	hartrees
Energy at 0K	-268.303820
Energy at 298.15K	-268.310983
HF Energy	-268.303820
Nuclear repulsion energy	177.936767

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3167	20.01
2	A'	3086	3086	4.86
3	A'	3082	3082	76.80
4	A'	3077	3077	15.91
5	A'	1868	1868	297.85
6	A'	1531	1531	7.85
7	A'	1513	1513	2.39
8	A'	1449	1449	16.44
9	A'	1423	1423	2.28
10	A'	1403	1403	0.84
11	A'	1274	1274	408.75
12	A'	1151	1151	12.56
13	A'	1060	1060	19.43
14	A'	884	884	10.58
15	A'	806	806	3.88
16	A'	389	389	6.72
17	A'	231	231	7.62
18	A"	3168	3168	31.66
19	A"	3134	3134	9.64
20	A"	1505	1505	6.19
21	A"	1308	1308	1.08
22	A"	1190	1190	5.28
23	A"	1043	1043	0.50
24	A"	814	814	0.86
25	A"	346	346	21.64
26	A"	234	234	2.54
27	A"	45	45	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	-2.174	-0.276	0.000
C2	-0.690	-0.565	0.000
O3	0.000	0.699	0.000
C4	1.332	0.628	0.000
O5	1.983	-0.384	0.000
H6	-2.732	-1.216	0.000
H7	-2.460	0.295	0.887
H8	-2.460	0.295	-0.887
H9	-0.383	-1.134	-0.883
H10	-0.383	-1.134	0.883
H11	1.751	1.645	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5127	2.3828	3.6206	4.1585	1.0933	1.0928	1.0928	2.1734	2.1734	4.3698
C2	1.5127		1.4398	2.3472	2.6785	2.1435	2.1587	2.1587	1.0940	1.0940	3.2923
O3	2.3828	1.4398		1.3334	2.2589	3.3362	2.6458	2.6458	2.0699	2.0699	1.9899
C4	3.6206	2.3472	1.3334		1.2034	4.4624	3.9079	3.9079	2.6125	2.6125	1.0996
O5	4.1585	2.6785	2.2589	1.2034		4.7875	4.5807	4.5807	2.6344	2.6344	2.0419
H6	1.0933	2.1435	3.3362	4.4624	4.7875		1.7734	1.7734	2.5104	2.5104	5.3178
H7	1.0928	2.1587	2.6458	3.9079	4.5807	1.7734		1.7742	3.0799	2.5205	4.5096
H8	1.0928	2.1587	2.6458	3.9079	4.5807	1.7734	1.7742		2.5205	3.0799	4.5096
H9	2.1734	1.0940	2.0699	2.6125	2.6344	2.5104	3.0799	2.5205		1.7658	3.6131
H10	2.1734	1.0940	2.0699	2.6125	2.6344	2.5104	2.5205	3.0799	1.7658		3.6131
H11	4.3698	3.2923	1.9899	1.0996	2.0419	5.3178	4.5096	4.5096	3.6131	3.6131

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.592	C1	C2	H9	111.981
C1	C2	H10	111.981	C2	C1	H6	109.627
C2	C1	H7	110.866	C2	C1	H8	110.866
C2	O3	C4	115.589	O3	C2	H9	108.793
O3	C2	H10	108.793	O3	C4	O5	125.788
O3	C4	H11	109.373	O5	C4	H11	124.839
H6	C1	H7	108.434	H6	C1	H8	108.434
H7	C1	H8	108.543	H9	C2	H10	107.624

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

using model chemistry: wB97X-D/6-31G**

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	-0.397
2	C	0.005
3	O	-0.441
4	C	0.441
5	O	-0.444
6	H	0.135
7	H	0.144
8	H	0.144
9	H	0.144
10	H	0.144
11	H	0.124

	x	y	z	Total
	-2.009	0.566	0.000	2.088
CHELPG
AIM
ESP

	x	y	z
x	6.859	0.229	0.000
y	0.229	5.618	0.000
z	0.000	0.000	4.281

<r²>	134.893
(<r²>)^1/2	11.614

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

using model chemistry: wB97X-D/6-31G**

States and conformations

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