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	hartrees
Energy at 0K	-265.802012
Energy at 298.15K	-265.809212
HF Energy	-265.337175
Nuclear repulsion energy	175.727166

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	2988	19.16
2	A'	3181	2960	56.96
3	A'	3159	2940	12.21
4	A'	3143	2924	11.75
5	A'	1815	1689	213.14
6	A'	1638	1524	8.34
7	A'	1620	1507	4.87
8	A'	1524	1418	9.84
9	A'	1480	1377	6.80
10	A'	1478	1375	9.10
11	A'	1241	1155	434.48
12	A'	1190	1108	12.97
13	A'	1050	977	6.13
14	A'	880	819	11.10
15	A'	814	757	5.76
16	A'	379	353	8.72
17	A'	223	208	7.95
18	A"	3225	3001	31.76
19	A"	3195	2973	7.43
20	A"	1607	1496	5.50
21	A"	1369	1274	0.02
22	A"	1250	1163	7.04
23	A"	1102	1025	0.46
24	A"	874	814	0.79
25	A"	330	307	31.35
26	A"	240	223	4.24
27	A"	53	50	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	-2.200	-0.247	0.000
C2	-0.713	-0.596	0.000
O3	0.000	0.698	0.000
C4	1.362	0.634	0.000
O5	2.008	-0.396	0.000
H6	-2.801	-1.158	0.000
H7	-2.441	0.340	0.885
H8	-2.441	0.340	-0.885
H9	-0.423	-1.164	-0.883
H10	-0.423	-1.164	0.883
H11	1.771	1.642	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5274	2.3944	3.6695	4.2106	1.0911	1.0895	1.0895	2.1861	2.1861	4.3977
C2	1.5274		1.4776	2.4126	2.7284	2.1621	2.1559	2.1559	1.0895	1.0895	3.3440
O3	2.3944	1.4776		1.3636	2.2866	3.3599	2.6214	2.6214	2.1041	2.1041	2.0072
C4	3.6695	2.4126	1.3636		1.2160	4.5324	3.9162	3.9162	2.6837	2.6837	1.0877
O5	4.2106	2.7284	2.2866	1.2160		4.8690	4.5959	4.5959	2.6983	2.6983	2.0518
H6	1.0911	2.1621	3.3599	4.5324	4.8690		1.7769	1.7769	2.5367	2.5367	5.3614
H7	1.0895	2.1559	2.6214	3.9162	4.5959	1.7769		1.7704	3.0766	2.5175	4.4971
H8	1.0895	2.1559	2.6214	3.9162	4.5959	1.7769	1.7704		2.5175	3.0766	4.4971
H9	2.1861	1.0895	2.1041	2.6837	2.6983	2.5367	3.0766	2.5175		1.7666	3.6704
H10	2.1861	1.0895	2.1041	2.6837	2.6983	2.5367	2.5175	3.0766	1.7666		3.6704
H11	4.3977	3.3440	2.0072	1.0877	2.0518	5.3614	4.4971	4.4971	3.6704	3.6704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.638	C1	C2	H9	112.230
C1	C2	H10	112.230	C2	C1	H6	110.209
C2	C1	H7	109.813	C2	C1	H8	109.813
C2	O3	C4	116.181	O3	C2	H9	109.160
O3	C2	H10	109.160	O3	C4	O5	124.757
O3	C4	H11	109.421	O5	C4	H11	125.822
H6	C1	H7	109.152	H6	C1	H8	109.152
H7	C1	H8	108.675	H9	C2	H10	108.338

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

using model chemistry: CID/3-21G*

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: CID/3-21G*

States and conformations

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