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	hartrees
Energy at 0K	-266.845848
Energy at 298.15K	-266.853264
HF Energy	-266.845848
Nuclear repulsion energy	179.148635

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'	3275	2962	54.64	119.59	0.28	0.43
2	A'	3261	2949	47.42	56.68	0.68	0.81
3	A'	3236	2926	11.99	108.50	0.16	0.27
4	A'	3191	2885	22.88	125.59	0.01	0.02
5	A'	1977	1788	469.98	9.41	0.21	0.35
6	A'	1650	1492	6.28	3.24	0.57	0.73
7	A'	1621	1465	3.12	11.87	0.73	0.84
8	A'	1568	1418	18.10	3.63	0.54	0.70
9	A'	1535	1388	4.68	3.82	0.37	0.54
10	A'	1523	1378	0.32	0.31	0.74	0.85
11	A'	1374	1242	568.13	1.74	0.15	0.26
12	A'	1231	1113	15.90	6.26	0.17	0.29
13	A'	1111	1004	21.59	5.35	0.74	0.85
14	A'	939	849	22.10	7.90	0.27	0.43
15	A'	852	771	2.91	4.19	0.36	0.53
16	A'	409	370	6.62	1.67	0.28	0.44
17	A'	242	218	10.39	0.41	0.33	0.49
18	A"	3294	2978	52.63	8.73	0.75	0.86
19	A"	3263	2950	6.61	103.99	0.75	0.86
20	A"	1607	1453	5.65	11.28	0.75	0.86
21	A"	1415	1279	2.16	7.71	0.75	0.86
22	A"	1287	1164	5.28	0.34	0.75	0.86
23	A"	1183	1070	2.90	2.24	0.75	0.86
24	A"	874	791	0.02	0.20	0.75	0.86
25	A"	352	318	31.42	1.47	0.75	0.86
26	A"	254	230	5.04	0.57	0.75	0.86
27	A"	76	69	0.99	0.24	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.170	-0.296	0.000
C2	-0.686	-0.588	0.000
O3	0.000	0.667	0.000
C4	1.314	0.648	0.000
O5	1.993	-0.325	0.000
H6	-2.726	-1.228	0.000
H7	-2.452	0.272	0.880
H8	-2.452	0.272	-0.880
H9	-0.386	-1.147	-0.877
H10	-0.386	-1.147	0.877
H11	1.706	1.660	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5124	2.3739	3.6098	4.1635	1.0856	1.0842	1.0842	2.1624	2.1624	4.3413
C2	1.5124		1.4297	2.3510	2.6923	2.1380	2.1520	2.1520	1.0821	1.0821	3.2823
O3	2.3739	1.4297		1.3145	2.2264	3.3198	2.6349	2.6349	2.0506	2.0506	1.9739
C4	3.6098	2.3510	1.3145		1.1862	4.4544	3.8860	3.8860	2.6225	2.6225	1.0856
O5	4.1635	2.6923	2.2264	1.1862		4.8048	4.5708	4.5708	2.6652	2.6652	2.0060
H6	1.0856	2.1380	3.3198	4.4544	4.8048		1.7604	1.7604	2.5001	2.5001	5.2897
H7	1.0842	2.1520	2.6349	3.8860	4.5708	1.7604		1.7598	3.0604	2.5061	4.4709
H8	1.0842	2.1520	2.6349	3.8860	4.5708	1.7604	1.7598		2.5061	3.0604	4.4709
H9	2.1624	1.0821	2.0506	2.6225	2.6652	2.5001	3.0604	2.5061		1.7532	3.6084
H10	2.1624	1.0821	2.0506	2.6225	2.6652	2.5001	2.5061	3.0604	1.7532		3.6084
H11	4.3413	3.2823	1.9739	1.0856	2.0060	5.2897	4.4709	4.4709	3.6084	3.6084

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.551	C1	C2	H9	111.839
C1	C2	H10	111.839	C2	C1	H6	109.661
C2	C1	H7	110.865	C2	C1	H8	110.865
C2	O3	C4	117.845	O3	C2	H9	108.659
O3	C2	H10	108.659	O3	C4	O5	125.753
O3	C4	H11	110.295	O5	C4	H11	123.952
H6	C1	H7	108.445	H6	C1	H8	108.445
H7	C1	H8	108.488	H9	C2	H10	108.206

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

using model chemistry: HF/6-31+G**

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	-0.473
2	C	0.083
3	O	-0.439
4	C	0.530
5	O	-0.544
6	H	0.140
7	H	0.145
8	H	0.145
9	H	0.143
10	H	0.143
11	H	0.126

	x	y	z	Total
	-2.220	0.728	0.000	2.337
CHELPG
AIM
ESP

	x	y	z
x	6.773	-0.009	0.000
y	-0.009	5.759	0.000
z	0.000	0.000	4.581

<r²>	134.921
(<r²>)^1/2	11.616

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

using model chemistry: HF/6-31+G**

States and conformations

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