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	hartrees
Energy at 0K	-267.933353
Energy at 298.15K	-267.940427
HF Energy	-267.750158
Nuclear repulsion energy	174.283434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3158	2.52
2	A'	3158	3158	67.16
3	A'	3102	3102	10.55
4	A'	3079	3079	15.35
5	A'	1670	1670	216.19
6	A'	1574	1574	11.40
7	A'	1561	1561	4.59
8	A'	1484	1484	10.13
9	A'	1431	1431	14.27
10	A'	1405	1405	12.83
11	A'	1165	1165	374.49
12	A'	1162	1162	15.64
13	A'	1045	1045	14.88
14	A'	815	815	15.04
15	A'	764	764	1.16
16	A'	372	372	6.66
17	A'	214	214	7.82
18	A"	3178	3178	38.41
19	A"	3151	3151	3.83
20	A"	1549	1549	7.01
21	A"	1319	1319	0.06
22	A"	1205	1205	7.04
23	A"	1018	1018	0.03
24	A"	847	847	0.98
25	A"	338	338	30.86
26	A"	229	229	2.76
27	A"	47	47	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	-2.213	-0.251	0.000
C2	-0.736	-0.596	0.000
O3	0.000	0.702	0.000
C4	1.370	0.640	0.000
O5	2.039	-0.401	0.000
H6	-2.809	-1.170	0.000
H7	-2.474	0.332	0.887
H8	-2.474	0.332	-0.887
H9	-0.431	-1.158	-0.886
H10	-0.431	-1.158	0.886
H11	1.779	1.652	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5176	2.4097	3.6924	4.2554	1.0951	1.0931	1.0931	2.1877	2.1877	4.4224
C2	1.5176		1.4917	2.4414	2.7817	2.1516	2.1613	2.1613	1.0931	1.0931	3.3725
O3	2.4097	1.4917		1.3714	2.3184	3.3756	2.6542	2.6542	2.1053	2.1053	2.0166
C4	3.6924	2.4414	1.3714		1.2375	4.5542	3.9571	3.9571	2.6952	2.6952	1.0912
O5	4.2554	2.7817	2.3184	1.2375		4.9092	4.6579	4.6579	2.7318	2.7318	2.0689
H6	1.0951	2.1516	3.3756	4.5542	4.9092		1.7762	1.7762	2.5380	2.5380	5.3862
H7	1.0931	2.1613	2.6542	3.9571	4.6579	1.7762		1.7738	3.0889	2.5293	4.5405
H8	1.0931	2.1613	2.6542	3.9571	4.6579	1.7762	1.7738		2.5293	3.0889	4.5405
H9	2.1877	1.0931	2.1053	2.6952	2.7318	2.5380	3.0889	2.5293		1.7726	3.6833
H10	2.1877	1.0931	2.1053	2.6952	2.7318	2.5380	2.5293	3.0889	1.7726		3.6833
H11	4.4224	3.3725	2.0166	1.0912	2.0689	5.3862	4.5405	4.5405	3.6833	3.6833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.404	C1	C2	H9	112.846
C1	C2	H10	112.846	C2	C1	H6	109.828
C2	C1	H7	110.712	C2	C1	H8	110.712
C2	O3	C4	116.958	O3	C2	H9	108.087
O3	C2	H10	108.087	O3	C4	O5	125.334
O3	C4	H11	109.424	O5	C4	H11	125.242
H6	C1	H7	108.531	H6	C1	H8	108.531
H7	C1	H8	108.462	H9	C2	H10	108.357

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for HCOOC2H5 (Ethyl formate)

using model chemistry: B2PLYP=FULL/6-31G

States and conformations

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