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	hartrees
Energy at 0K	-51.231171
Energy at 298.15K	-51.238462
HF Energy	-51.231171
Nuclear repulsion energy	98.709421

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3310	3020	40.50	114.29	0.29	0.45
2	A'	3253	2969	54.12	60.85	0.74	0.85
3	A'	3212	2931	16.83	122.52	0.11	0.20
4	A'	3162	2885	29.90	124.93	0.02	0.04
5	A'	1811	1653	415.28	8.27	0.22	0.36
6	A'	1657	1512	12.94	4.18	0.62	0.76
7	A'	1636	1493	5.25	18.90	0.74	0.85
8	A'	1569	1432	18.70	3.68	0.63	0.77
9	A'	1529	1396	7.81	1.88	0.65	0.79
10	A'	1498	1366	11.64	5.62	0.52	0.68
11	A'	1306	1192	567.53	1.82	0.20	0.33
12	A'	1231	1123	8.55	8.75	0.18	0.30
13	A'	1106	1009	15.05	7.09	0.71	0.83
14	A'	895	817	28.02	14.46	0.28	0.44
15	A'	811	740	3.03	5.75	0.50	0.67
16	A'	392	357	7.77	2.27	0.36	0.53
17	A'	222	203	11.94	0.67	0.49	0.66
18	A"	3288	3000	74.10	3.75	0.75	0.86
19	A"	3258	2973	5.20	105.04	0.75	0.86
20	A"	1623	1481	6.75	15.51	0.75	0.86
21	A"	1404	1281	1.79	12.91	0.75	0.86
22	A"	1288	1175	8.85	1.20	0.75	0.86
23	A"	1133	1034	1.30	3.02	0.75	0.86
24	A"	885	807	0.13	0.15	0.75	0.86
25	A"	331	302	47.55	1.62	0.75	0.86
26	A"	236	216	5.63	0.61	0.75	0.86
27	A"	61	56	1.25	0.40	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.210	-0.283	0.000
C2	-0.724	-0.617	0.000
O3	0.000	0.660	0.000
C4	1.346	0.670	0.000
O5	2.049	-0.327	0.000
H6	-2.792	-1.200	0.000
H7	-2.473	0.294	0.880
H8	-2.473	0.294	-0.880
H9	-0.426	-1.175	-0.879
H10	-0.426	-1.175	0.879
H11	1.725	1.682	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5233	2.4028	3.6818	4.2593	1.0865	1.0843	1.0843	2.1795	2.1795	4.3987
C2	1.5233		1.4680	2.4377	2.7879	2.1487	2.1597	2.1597	1.0830	1.0830	3.3592
O3	2.4028	1.4680		1.3463	2.2744	3.3549	2.6506	2.6506	2.0790	2.0790	2.0054
C4	3.6818	2.4377	1.3463		1.2199	4.5412	3.9377	3.9377	2.7055	2.7055	1.0806
O5	4.2593	2.7879	2.2744	1.2199		4.9190	4.6488	4.6488	2.7604	2.7604	2.0350
H6	1.0865	2.1487	3.3549	4.5412	4.9190		1.7628	1.7628	2.5237	2.5237	5.3585
H7	1.0843	2.1597	2.6506	3.9377	4.6488	1.7628		1.7595	3.0726	2.5192	4.5090
H8	1.0843	2.1597	2.6506	3.9377	4.6488	1.7628	1.7595		2.5192	3.0726	4.5090
H9	2.1795	1.0830	2.0790	2.7055	2.7604	2.5237	3.0726	2.5192		1.7586	3.6832
H10	2.1795	1.0830	2.0790	2.7055	2.7604	2.5237	2.5192	3.0726	1.7586		3.6832
H11	4.3987	3.3592	2.0054	1.0806	2.0350	5.3585	4.5090	4.5090	3.6832	3.6832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.869	C1	C2	H9	112.391
C1	C2	H10	112.391	C2	C1	H6	109.703
C2	C1	H7	110.707	C2	C1	H8	110.707
C2	O3	C4	119.970	O3	C2	H9	108.225
O3	C2	H10	108.225	O3	C4	O5	124.743
O3	C4	H11	110.966	O5	C4	H11	124.291
H6	C1	H7	108.600	H6	C1	H8	108.600
H7	C1	H8	108.463	H9	C2	H10	108.573

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

using model chemistry: HF/CEP-121G

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	-0.431
2	C	-0.029
3	O	-0.374
4	C	0.222
5	O	-0.326
6	H	0.147
7	H	0.159
8	H	0.159
9	H	0.159
10	H	0.159
11	H	0.153

	x	y	z	Total
	-2.365	0.655	0.000	2.454
CHELPG
AIM
ESP

	x	y	z
x	6.519	0.003	0.000
y	0.003	5.567	0.000
z	0.000	0.000	4.288

<r²>	114.183
(<r²>)^1/2	10.686

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

using model chemistry: HF/CEP-121G

States and conformations

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