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	hartrees
Energy at 0K	-267.707354
Energy at 298.15K	-267.714553
HF Energy	-266.845680
Nuclear repulsion energy	176.843447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3150	3021
2	A'	3073	2947
3	A'	3070	2944
4	A'	3060	2934
5	A'	1812	1738
6	A'	1512	1450
7	A'	1491	1429
8	A'	1429	1371
9	A'	1396	1339
10	A'	1383	1326
11	A'	1218	1168
12	A'	1138	1091
13	A'	1055	1012
14	A'	868	833
15	A'	788	756
16	A'	382	366
17	A'	233	223
18	A"	3159	3029
19	A"	3121	2993
20	A"	1478	1417
21	A"	1292	1239
22	A"	1181	1132
23	A"	1038	995
24	A"	807	774
25	A"	345	331
26	A"	244	234
27	A"	64	62

Atom	x (Å)	y (Å)	z (Å)
C1	-2.181	-0.255	0.000
C2	-0.692	-0.558	0.000
O3	0.000	0.717	0.000
C4	1.346	0.613	0.000
O5	1.978	-0.420	0.000
H6	-2.756	-1.199	0.000
H7	-2.460	0.327	0.896
H8	-2.460	0.327	-0.896
H9	-0.385	-1.134	-0.892
H10	-0.385	-1.134	0.892
H11	1.784	1.634	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5201	2.3881	3.6328	4.1630	1.1049	1.1041	1.1041	2.1895	2.1895	4.3924
C2	1.5201		1.4501	2.3503	2.6736	2.1616	2.1705	2.1705	1.1051	1.1051	3.3064
O3	2.3881	1.4501		1.3501	2.2814	3.3564	2.6469	2.6469	2.0903	2.0903	2.0059
C4	3.6328	2.3503	1.3501		1.2108	4.4846	3.9205	3.9205	2.6165	2.6165	1.1107
O5	4.1630	2.6736	2.2814	1.2108		4.7982	4.5887	4.5887	2.6254	2.6254	2.0626
H6	1.1049	2.1616	3.3564	4.4846	4.7982		1.7937	1.7937	2.5338	2.5338	5.3513
H7	1.1041	2.1705	2.6469	3.9205	4.5887	1.7937		1.7925	3.1038	2.5370	4.5301
H8	1.1041	2.1705	2.6469	3.9205	4.5887	1.7937	1.7925		2.5370	3.1038	4.5301
H9	2.1895	1.1051	2.0903	2.6165	2.6254	2.5338	3.1038	2.5370		1.7836	3.6281
H10	2.1895	1.1051	2.0903	2.6165	2.6254	2.5338	2.5370	3.1038	1.7836		3.6281
H11	4.3924	3.3064	2.0059	1.1107	2.0626	5.3513	4.5301	4.5301	3.6281	3.6281

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.007	C1	C2	H9	112.055
C1	C2	H10	112.055	C2	C1	H6	109.861
C2	C1	H7	110.603	C2	C1	H8	110.603
C2	O3	C4	114.089	O3	C2	H9	109.032
O3	C2	H10	109.032	O3	C4	O5	125.878
O3	C4	H11	108.814	O5	C4	H11	125.308
H6	C1	H7	108.587	H6	C1	H8	108.587
H7	C1	H8	108.542	H9	C2	H10	107.600

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

using model chemistry: QCISD(T)=FULL/cc-pVDZ

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(T)=FULL/cc-pVDZ

States and conformations

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