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	hartrees
Energy at 0K	-265.867754
Energy at 298.15K	-265.874897
HF Energy	-265.335563
Nuclear repulsion energy	175.040878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3157	3157	18.65
2	A'	3117	3117	57.25
3	A'	3096	3096	11.40
4	A'	3089	3089	11.37
5	A'	1778	1778	183.82
6	A'	1612	1612	7.74
7	A'	1594	1594	4.81
8	A'	1494	1494	8.99
9	A'	1455	1455	3.06
10	A'	1447	1447	13.70
11	A'	1207	1207	378.66
12	A'	1165	1165	26.67
13	A'	1030	1030	4.75
14	A'	862	862	10.25
15	A'	797	797	5.30
16	A'	373	373	8.49
17	A'	223	223	7.16
18	A"	3170	3170	28.31
19	A"	3131	3131	12.51
20	A"	1582	1582	5.13
21	A"	1342	1342	0.01
22	A"	1226	1226	6.45
23	A"	1062	1062	0.03
24	A"	858	858	0.79
25	A"	323	323	27.66
26	A"	237	237	4.22
27	A"	53	53	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	-2.206	-0.241	0.000
C2	-0.713	-0.591	0.000
O3	0.000	0.711	0.000
C4	1.371	0.629	0.000
O5	2.005	-0.415	0.000
H6	-2.809	-1.156	0.000
H7	-2.447	0.349	0.889
H8	-2.447	0.349	-0.889
H9	-0.422	-1.163	-0.887
H10	-0.422	-1.163	0.887
H11	1.794	1.637	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5333	2.4024	3.6811	4.2146	1.0956	1.0940	1.0940	2.1951	2.1951	4.4188
C2	1.5333		1.4846	2.4153	2.7240	2.1701	2.1634	2.1634	1.0949	1.0949	3.3543
O3	2.4024	1.4846		1.3734	2.2997	3.3722	2.6283	2.6283	2.1160	2.1160	2.0190
C4	3.6811	2.4153	1.3734		1.2219	4.5447	3.9299	3.9299	2.6864	2.6864	1.0928
O5	4.2146	2.7240	2.2997	1.2219		4.8703	4.6037	4.6037	2.6908	2.6908	2.0627
H6	1.0956	2.1701	3.3722	4.5447	4.8703		1.7850	1.7850	2.5457	2.5457	5.3836
H7	1.0940	2.1634	2.6283	3.9299	4.6037	1.7850		1.7784	3.0888	2.5268	4.5204
H8	1.0940	2.1634	2.6283	3.9299	4.6037	1.7850	1.7784		2.5268	3.0888	4.5204
H9	2.1951	1.0949	2.1160	2.6864	2.6908	2.5457	3.0888	2.5268		1.7746	3.6797
H10	2.1951	1.0949	2.1160	2.6864	2.6908	2.5457	2.5268	3.0888	1.7746		3.6797
H11	4.4188	3.3543	2.0190	1.0928	2.0627	5.3836	4.5204	4.5204	3.6797	3.6797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.497	C1	C2	H9	112.202
C1	C2	H10	112.202	C2	C1	H6	110.162
C2	C1	H7	109.734	C2	C1	H8	109.734
C2	O3	C4	115.308	O3	C2	H9	109.300
O3	C2	H10	109.300	O3	C4	O5	124.669
O3	C4	H11	109.383	O5	C4	H11	125.948
H6	C1	H7	109.222	H6	C1	H8	109.222
H7	C1	H8	108.741	H9	C2	H10	108.267

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

using model chemistry: MP3=FULL/3-21G*

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

using model chemistry: MP3=FULL/3-21G*

States and conformations

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