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	hartrees
Energy at 0K	-267.653502
Energy at 298.15K	-267.660765
HF Energy	-266.835911
Nuclear repulsion energy	177.455136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	3014	23.66
2	A'	3145	2961	59.86
3	A'	3133	2950	18.80
4	A'	3117	2934	15.33
5	A'	1838	1731	264.69
6	A'	1577	1485	5.30
7	A'	1557	1465	2.00
8	A'	1484	1397	16.19
9	A'	1443	1359	2.09
10	A'	1437	1353	7.64
11	A'	1256	1182	407.57
12	A'	1170	1102	6.99
13	A'	1072	1010	12.94
14	A'	888	836	12.87
15	A'	800	753	3.94
16	A'	389	366	6.15
17	A'	235	222	7.30
18	A"	3213	3025	36.81
19	A"	3182	2995	9.81
20	A"	1546	1455	3.87
21	A"	1330	1252	0.80
22	A"	1221	1149	4.90
23	A"	1059	997	0.72
24	A"	834	785	0.07
25	A"	348	327	22.71
26	A"	250	235	3.00
27	A"	71	67	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	-2.177	-0.253	0.000
C2	-0.696	-0.562	0.000
O3	0.000	0.708	0.000
C4	1.342	0.616	0.000
O5	1.981	-0.413	0.000
H6	-2.748	-1.182	0.000
H7	-2.449	0.322	0.885
H8	-2.449	0.322	-0.885
H9	-0.394	-1.128	-0.881
H10	-0.394	-1.128	0.881
H11	1.774	1.622	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5134	2.3801	3.6248	4.1615	1.0906	1.0895	1.0895	2.1738	2.1738	4.3731
C2	1.5134		1.4482	2.3534	2.6810	2.1441	2.1537	2.1537	1.0905	1.0905	3.2962
O3	2.3801	1.4482		1.3449	2.2762	3.3356	2.6327	2.6327	2.0750	2.0750	1.9949
C4	3.6248	2.3534	1.3449		1.2110	4.4677	3.9040	3.9040	2.6136	2.6136	1.0946
O5	4.1615	2.6810	2.2762	1.2110		4.7914	4.5772	4.5772	2.6321	2.6321	2.0449
H6	1.0906	2.1441	3.3356	4.4677	4.7914		1.7704	1.7704	2.5146	2.5146	5.3205
H7	1.0895	2.1537	2.6327	3.9040	4.5772	1.7704		1.7693	3.0738	2.5159	4.5061
H8	1.0895	2.1537	2.6327	3.9040	4.5772	1.7704	1.7693		2.5159	3.0738	4.5061
H9	2.1738	1.0905	2.0750	2.6136	2.6321	2.5146	3.0738	2.5159		1.7625	3.6106
H10	2.1738	1.0905	2.0750	2.6136	2.6321	2.5146	2.5159	3.0738	1.7625		3.6106
H11	4.3731	3.2962	1.9949	1.0946	2.0449	5.3205	4.5061	4.5061	3.6106	3.6106

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.940	C1	C2	H9	112.173
C1	C2	H10	112.173	C2	C1	H6	109.781
C2	C1	H7	110.612	C2	C1	H8	110.612
C2	O3	C4	114.774	O3	C2	H9	108.822
O3	C2	H10	108.822	O3	C4	O5	125.806
O3	C4	H11	109.294	O5	C4	H11	124.900
H6	C1	H7	108.600	H6	C1	H8	108.600
H7	C1	H8	108.580	H9	C2	H10	107.828

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

using model chemistry: QCISD/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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All results from a given calculation for HCOOC2H5 (Ethyl formate)

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

States and conformations

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