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	hartrees
Energy at 0K	-268.452622
Energy at 298.15K	-268.459770
HF Energy	-268.452622
Nuclear repulsion energy	177.321545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3110	3005	31.56
2	A'	3062	2958	13.76
3	A'	3044	2941	17.48
4	A'	3035	2933	82.51
5	A'	1811	1750	310.18
6	A'	1535	1483	8.16
7	A'	1515	1464	3.00
8	A'	1438	1390	17.37
9	A'	1409	1361	0.93
10	A'	1405	1358	2.89
11	A'	1206	1165	407.86
12	A'	1139	1101	14.67
13	A'	1029	995	20.72
14	A'	858	829	15.26
15	A'	791	764	0.99
16	A'	380	367	5.88
17	A'	225	217	6.92
18	A"	3122	3017	52.06
19	A"	3095	2990	2.44
20	A"	1504	1453	7.93
21	A"	1310	1266	1.15
22	A"	1188	1148	4.50
23	A"	1033	998	0.12
24	A"	816	788	0.64
25	A"	348	337	21.85
26	A"	233	225	2.01
27	A"	56	54	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	-2.184	-0.279	0.000
C2	-0.700	-0.577	0.000
O3	0.000	0.694	0.000
C4	1.338	0.632	0.000
O5	2.001	-0.368	0.000
H6	-2.753	-1.213	0.000
H7	-2.468	0.294	0.885
H8	-2.468	0.294	-0.885
H9	-0.392	-1.144	-0.882
H10	-0.392	-1.144	0.882
H11	1.742	1.655	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5136	2.3911	3.6382	4.1863	1.0932	1.0922	1.0922	2.1765	2.1765	4.3767
C2	1.5136		1.4511	2.3699	2.7094	2.1488	2.1608	2.1608	1.0923	1.0923	3.3086
O3	2.3911	1.4511		1.3396	2.2656	3.3486	2.6525	2.6525	2.0754	2.0754	1.9895
C4	3.6382	2.3699	1.3396		1.1999	4.4876	3.9226	3.9226	2.6311	2.6311	1.1000
O5	4.1863	2.7094	2.2656	1.1999		4.8285	4.6043	4.6043	2.6656	2.6656	2.0397
H6	1.0932	2.1488	3.3486	4.4876	4.8285		1.7707	1.7707	2.5212	2.5212	5.3317
H7	1.0922	2.1608	2.6525	3.9226	4.6043	1.7707		1.7702	3.0823	2.5257	4.5124
H8	1.0922	2.1608	2.6525	3.9226	4.6043	1.7707	1.7702		2.5257	3.0823	4.5124
H9	2.1765	1.0923	2.0754	2.6311	2.6656	2.5212	3.0823	2.5257		1.7633	3.6281
H10	2.1765	1.0923	2.0754	2.6311	2.6656	2.5212	2.5257	3.0823	1.7633		3.6281
H11	4.3767	3.3086	1.9895	1.1000	2.0397	5.3317	4.5124	4.5124	3.6281	3.6281

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.490	C1	C2	H9	112.259
C1	C2	H10	112.259	C2	C1	H6	109.990
C2	C1	H7	111.007	C2	C1	H8	111.007
C2	O3	C4	116.189	O3	C2	H9	108.547
O3	C2	H10	108.547	O3	C4	O5	126.204
O3	C4	H11	108.880	O5	C4	H11	124.917
H6	C1	H7	108.237	H6	C1	H8	108.237
H7	C1	H8	108.267	H9	C2	H10	107.629

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

using model chemistry: B3LYP/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	-0.627
2	C	-0.224
3	O	-0.283
4	C	0.187
5	O	-0.328
6	H	0.213
7	H	0.218
8	H	0.218
9	H	0.219
10	H	0.219
11	H	0.187

	x	y	z	Total
	-1.988	0.489	0.000	2.047
CHELPG
AIM
ESP

	x	y	z
x	7.259	0.235	0.000
y	0.235	5.902	0.000
z	0.000	0.000	4.497

<r²>	136.574
(<r²>)^1/2	11.686

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

using model chemistry: B3LYP/6-311G*

States and conformations

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