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	hartrees
Energy at 0K	-266.838917
Energy at 298.15K	-266.846338
HF Energy	-266.838917
Nuclear repulsion energy	179.316830

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'	3267	2949	37.19	67.36	0.69	0.82
2	A'	3262	2945	72.83	109.24	0.24	0.39
3	A'	3235	2920	16.01	99.06	0.17	0.29
4	A'	3195	2884	21.34	103.31	0.01	0.03
5	A'	2006	1811	400.86	5.65	0.33	0.49
6	A'	1656	1495	5.60	2.52	0.72	0.83
7	A'	1627	1468	2.21	19.66	0.75	0.86
8	A'	1571	1418	16.77	4.82	0.66	0.79
9	A'	1544	1394	6.95	4.66	0.52	0.69
10	A'	1527	1378	0.77	0.39	0.32	0.48
11	A'	1377	1243	552.18	1.29	0.16	0.28
12	A'	1235	1114	17.88	5.91	0.19	0.32
13	A'	1115	1007	19.48	5.29	0.74	0.85
14	A'	944	853	20.48	8.76	0.33	0.50
15	A'	859	775	4.02	4.29	0.43	0.60
16	A'	410	370	7.10	1.63	0.35	0.52
17	A'	245	221	9.64	0.37	0.36	0.53
18	A"	3293	2972	61.34	3.67	0.75	0.86
19	A"	3266	2948	2.30	108.88	0.75	0.86
20	A"	1613	1456	4.04	17.76	0.75	0.86
21	A"	1417	1279	1.54	9.83	0.75	0.86
22	A"	1292	1166	5.95	0.89	0.75	0.86
23	A"	1187	1071	4.69	3.49	0.75	0.86
24	A"	876	791	0.02	0.14	0.75	0.86
25	A"	353	319	30.05	1.80	0.75	0.86
26	A"	255	231	4.60	0.66	0.75	0.86
27	A"	75	67	0.77	0.26	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.168	-0.292	0.000
C2	-0.683	-0.583	0.000
O3	0.000	0.671	0.000
C4	1.315	0.642	0.000
O5	1.986	-0.333	0.000
H6	-2.725	-1.223	0.000
H7	-2.448	0.277	0.880
H8	-2.448	0.277	-0.880
H9	-0.384	-1.145	-0.875
H10	-0.384	-1.145	0.875
H11	1.711	1.654	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5126	2.3718	3.6059	4.1543	1.0852	1.0841	1.0841	2.1623	2.1623	4.3397
C2	1.5126		1.4280	2.3443	2.6815	2.1397	2.1509	2.1509	1.0823	1.0823	3.2771
O3	2.3718	1.4280		1.3155	2.2258	3.3185	2.6309	2.6309	2.0516	2.0516	1.9737
C4	3.6059	2.3443	1.3155		1.1841	4.4500	3.8818	3.8818	2.6164	2.6164	1.0866
O5	4.1543	2.6815	2.2258	1.1841		4.7949	4.5618	4.5618	2.6538	2.6538	2.0062
H6	1.0852	2.1397	3.3185	4.4500	4.7949		1.7603	1.7603	2.5009	2.5009	5.2877
H7	1.0841	2.1509	2.6309	3.8818	4.5618	1.7603		1.7591	3.0594	2.5060	4.4689
H8	1.0841	2.1509	2.6309	3.8818	4.5618	1.7603	1.7591		2.5060	3.0594	4.4689
H9	2.1623	1.0823	2.0516	2.6164	2.6538	2.5009	3.0594	2.5060		1.7509	3.6039
H10	2.1623	1.0823	2.0516	2.6164	2.6538	2.5009	2.5060	3.0594	1.7509		3.6039
H11	4.3397	3.2771	1.9737	1.0866	2.0062	5.2877	4.4689	4.4689	3.6039	3.6039

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.486	C1	C2	H9	111.806
C1	C2	H10	111.806	C2	C1	H6	109.809
C2	C1	H7	110.775	C2	C1	H8	110.775
C2	O3	C4	117.345	O3	C2	H9	108.849
O3	C2	H10	108.849	O3	C4	O5	125.778
O3	C4	H11	110.141	O5	C4	H11	124.081
H6	C1	H7	108.480	H6	C1	H8	108.480
H7	C1	H8	108.452	H9	C2	H10	107.976

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.355
2	C	0.090
3	O	-0.596
4	C	0.607
5	O	-0.535
6	H	0.122
7	H	0.132
8	H	0.132
9	H	0.136
10	H	0.136
11	H	0.132

	x	y	z	Total
	-2.067	0.707	0.000	2.185
CHELPG
AIM
ESP

	x	y	z
x	6.200	0.120	0.000
y	0.120	5.302	0.000
z	0.000	0.000	4.120

<r²>	134.248
(<r²>)^1/2	11.587

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

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

States and conformations

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