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	hartrees
Energy at 0K	-268.165114
Energy at 298.15K	-268.172307
HF Energy	-268.165114
Nuclear repulsion energy	178.295772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3144	3017	25.70
2	A'	3081	2956	13.31
3	A'	3065	2941	15.62
4	A'	3062	2938	81.53
5	A'	1848	1773	321.65
6	A'	1533	1471	9.43
7	A'	1512	1451	2.98
8	A'	1440	1382	19.66
9	A'	1413	1356	1.37
10	A'	1401	1344	0.14
11	A'	1242	1192	407.95
12	A'	1148	1102	12.70
13	A'	1056	1013	22.16
14	A'	876	841	11.38
15	A'	805	772	2.42
16	A'	385	369	6.58
17	A'	228	219	7.02
18	A"	3151	3024	42.92
19	A"	3120	2994	5.60
20	A"	1500	1440	8.92
21	A"	1315	1262	1.29
22	A"	1189	1141	4.83
23	A"	1043	1001	0.12
24	A"	812	780	0.94
25	A"	356	341	21.77
26	A"	236	227	2.13
27	A"	59	56	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	-2.169	-0.275	0.000
C2	-0.691	-0.566	0.000
O3	0.000	0.696	0.000
C4	1.330	0.625	0.000
O5	1.981	-0.379	0.000
H6	-2.735	-1.210	0.000
H7	-2.455	0.298	0.885
H8	-2.455	0.298	-0.885
H9	-0.381	-1.134	-0.881
H10	-0.381	-1.134	0.881
H11	1.744	1.644	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5059	2.3764	3.6124	4.1511	1.0929	1.0922	1.0922	2.1702	2.1702	4.3583
C2	1.5059		1.4395	2.3460	2.6789	2.1427	2.1539	2.1539	1.0931	1.0931	3.2891
O3	2.3764	1.4395		1.3315	2.2539	3.3338	2.6398	2.6398	2.0669	2.0669	1.9851
C4	3.6124	2.3460	1.3315		1.1966	4.4597	3.9004	3.9004	2.6073	2.6073	1.1002
O5	4.1511	2.6789	2.2539	1.1966		4.7888	4.5736	4.5736	2.6319	2.6319	2.0367
H6	1.0929	2.1427	3.3338	4.4597	4.7888		1.7702	1.7702	2.5146	2.5146	5.3112
H7	1.0922	2.1539	2.6398	3.9004	4.5736	1.7702		1.7700	3.0771	2.5199	4.4976
H8	1.0922	2.1539	2.6398	3.9004	4.5736	1.7702	1.7700		2.5199	3.0771	4.4976
H9	2.1702	1.0931	2.0669	2.6073	2.6319	2.5146	3.0771	2.5199		1.7620	3.6073
H10	2.1702	1.0931	2.0669	2.6073	2.6319	2.5146	2.5199	3.0771	1.7620		3.6073
H11	4.3583	3.2891	1.9851	1.1002	2.0367	5.3112	4.4976	4.4976	3.6073	3.6073

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.553	C1	C2	H9	112.264
C1	C2	H10	112.264	C2	C1	H6	110.061
C2	C1	H7	110.999	C2	C1	H8	110.999
C2	O3	C4	115.638	O3	C2	H9	108.624
O3	C2	H10	108.624	O3	C4	O5	126.045
O3	C4	H11	109.070	O5	C4	H11	124.884
H6	C1	H7	108.218	H6	C1	H8	108.218
H7	C1	H8	108.249	H9	C2	H10	107.410

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

using model chemistry: HSEh1PBE/6-311G*

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	-0.680
2	C	-0.266
3	O	-0.276
4	C	0.184
5	O	-0.334
6	H	0.231
7	H	0.235
8	H	0.235
9	H	0.236
10	H	0.236
11	H	0.198

	x	y	z	Total
	-1.967	0.532	0.000	2.038
CHELPG
AIM
ESP

	x	y	z
x	7.139	0.202	0.000
y	0.202	5.834	0.000
z	0.000	0.000	4.469

<r²>	134.804
(<r²>)^1/2	11.611

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

using model chemistry: HSEh1PBE/6-311G*

States and conformations

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