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	hartrees
Energy at 0K	-268.340391
Energy at 298.15K	-268.347708
HF Energy	-268.340391
Nuclear repulsion energy	178.460379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3153	3153	15.07
2	A'	3101	3101	49.29
3	A'	3091	3091	17.78
4	A'	3075	3075	10.51
5	A'	1868	1868	333.51
6	A'	1533	1533	8.16
7	A'	1508	1508	3.46
8	A'	1442	1442	18.10
9	A'	1419	1419	1.92
10	A'	1400	1400	0.03
11	A'	1261	1261	443.48
12	A'	1151	1151	13.14
13	A'	1064	1064	18.39
14	A'	891	891	10.59
15	A'	811	811	4.24
16	A'	393	393	6.67
17	A'	239	239	7.33
18	A"	3165	3165	25.30
19	A"	3133	3133	6.30
20	A"	1495	1495	8.13
21	A"	1309	1309	1.75
22	A"	1191	1191	5.29
23	A"	1064	1064	0.23
24	A"	824	824	0.82
25	A"	354	354	23.31
26	A"	261	261	3.45
27	A"	79	79	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	-2.168	-0.273	0.000
C2	-0.686	-0.568	0.000
O3	0.000	0.697	0.000
C4	1.331	0.626	0.000
O5	1.970	-0.383	0.000
H6	-2.735	-1.205	0.000
H7	-2.443	0.302	0.885
H8	-2.443	0.302	-0.885
H9	-0.378	-1.133	-0.882
H10	-0.378	-1.133	0.882
H11	1.753	1.640	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5111	2.3753	3.6128	4.1401	1.0911	1.0907	1.0907	2.1735	2.1735	4.3627
C2	1.5111		1.4393	2.3440	2.6631	2.1455	2.1511	2.1511	1.0921	1.0921	3.2898
O3	2.3753	1.4393		1.3330	2.2474	3.3315	2.6285	2.6285	2.0666	2.0666	1.9902
C4	3.6128	2.3440	1.3330		1.1948	4.4592	3.8901	3.8901	2.6060	2.6060	1.0980
O5	4.1401	2.6631	2.2474	1.1948		4.7766	4.5534	4.5534	2.6180	2.6180	2.0345
H6	1.0911	2.1455	3.3315	4.4592	4.7766		1.7720	1.7720	2.5179	2.5179	5.3135
H7	1.0907	2.1511	2.6285	3.8901	4.5534	1.7720		1.7706	3.0739	2.5150	4.4923
H8	1.0907	2.1511	2.6285	3.8901	4.5534	1.7720	1.7706		2.5150	3.0739	4.4923
H9	2.1735	1.0921	2.0666	2.6060	2.6180	2.5179	3.0739	2.5150		1.7641	3.6062
H10	2.1735	1.0921	2.0666	2.6060	2.6180	2.5179	2.5150	3.0739	1.7641		3.6062
H11	4.3627	3.2898	1.9902	1.0980	2.0345	5.3135	4.4923	4.4923	3.6062	3.6062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.212	C1	C2	H9	112.220
C1	C2	H10	112.220	C2	C1	H6	110.028
C2	C1	H7	110.497	C2	C1	H8	110.497
C2	O3	C4	115.401	O3	C2	H9	108.674
O3	C2	H10	108.674	O3	C4	O5	125.429
O3	C4	H11	109.532	O5	C4	H11	125.038
H6	C1	H7	108.622	H6	C1	H8	108.622
H7	C1	H8	108.520	H9	C2	H10	107.744

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

using model chemistry: M06-2X/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	-0.395
2	C	-0.096
3	O	-0.327
4	C	0.313
5	O	-0.362
6	H	0.142
7	H	0.148
8	H	0.148
9	H	0.155
10	H	0.155
11	H	0.119

	x	y	z	Total
	-1.867	0.586	0.000	1.956
CHELPG
AIM
ESP

	x	y	z
x	7.075	0.170	0.000
y	0.170	5.765	0.000
z	0.000	0.000	4.462

<r²>	134.398
(<r²>)^1/2	11.593

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

using model chemistry: M06-2X/6-311G**

States and conformations

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