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	hartrees
Energy at 0K	-267.604804
Energy at 298.15K	-267.612048
HF Energy	-266.825718
Nuclear repulsion energy	177.183419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3157	3006	22.02
2	A'	3111	2962	58.40
3	A'	3097	2950	15.73
4	A'	3079	2932	14.21
5	A'	1836	1748	265.84
6	A'	1569	1494	5.98
7	A'	1548	1474	2.82
8	A'	1478	1408	17.81
9	A'	1435	1366	1.99
10	A'	1431	1362	4.67
11	A'	1256	1196	407.31
12	A'	1168	1113	8.17
13	A'	1071	1020	14.82
14	A'	885	843	12.26
15	A'	800	762	3.40
16	A'	389	371	6.52
17	A'	236	225	7.49
18	A"	3169	3018	35.67
19	A"	3141	2992	6.88
20	A"	1537	1463	5.34
21	A"	1325	1262	0.59
22	A"	1217	1159	5.14
23	A"	1051	1001	0.49
24	A"	833	793	0.30
25	A"	347	331	23.79
26	A"	247	235	3.10
27	A"	73	69	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	-2.179	-0.254	0.000
C2	-0.697	-0.565	0.000
O3	0.000	0.707	0.000
C4	1.342	0.618	0.000
O5	1.984	-0.409	0.000
H6	-2.756	-1.187	0.000
H7	-2.453	0.324	0.889
H8	-2.453	0.324	-0.889
H9	-0.392	-1.133	-0.886
H10	-0.392	-1.133	0.886
H11	1.776	1.629	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5148	2.3821	3.6276	4.1663	1.0968	1.0955	1.0955	2.1802	2.1802	4.3808
C2	1.5148		1.4505	2.3567	2.6853	2.1512	2.1597	2.1597	1.0958	1.0958	3.3055
O3	2.3821	1.4505		1.3447	2.2768	3.3444	2.6368	2.6368	2.0800	2.0800	2.0009
C4	3.6276	2.3567	1.3447		1.2116	4.4777	3.9082	3.9082	2.6185	2.6185	1.1001
O5	4.1663	2.6853	2.2768	1.2116		4.8034	4.5840	4.5840	2.6368	2.6368	2.0486
H6	1.0968	2.1512	3.3444	4.4777	4.8034		1.7798	1.7798	2.5253	2.5253	5.3356
H7	1.0955	2.1597	2.6368	3.9082	4.5840	1.7798		1.7785	3.0859	2.5244	4.5138
H8	1.0955	2.1597	2.6368	3.9082	4.5840	1.7798	1.7785		2.5244	3.0859	4.5138
H9	2.1802	1.0958	2.0800	2.6185	2.6368	2.5253	3.0859	2.5244		1.7714	3.6212
H10	2.1802	1.0958	2.0800	2.6185	2.6368	2.5253	2.5244	3.0859	1.7714		3.6212
H11	4.3808	3.3055	2.0009	1.1001	2.0486	5.3356	4.5138	4.5138	3.6212	3.6212

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.878	C1	C2	H9	112.262
C1	C2	H10	112.262	C2	C1	H6	109.882
C2	C1	H7	110.631	C2	C1	H8	110.631
C2	O3	C4	114.894	O3	C2	H9	108.749
O3	C2	H10	108.749	O3	C4	O5	125.827
O3	C4	H11	109.445	O5	C4	H11	124.728
H6	C1	H7	108.554	H6	C1	H8	108.554
H7	C1	H8	108.530	H9	C2	H10	107.846

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)