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	hartrees
Energy at 0K	-265.886090
Energy at 298.15K	-265.893165
HF Energy	-265.333271
Nuclear repulsion energy	174.167464

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3111	2990	20.00
2	A'	3069	2950	60.60
3	A'	3058	2939	11.52
4	A'	3044	2926	11.94
5	A'	1704	1638	161.24
6	A'	1592	1530	9.42
7	A'	1578	1517	4.73
8	A'	1478	1421	7.32
9	A'	1426	1370	10.48
10	A'	1423	1368	10.29
11	A'	1169	1123	295.77
12	A'	1145	1101	79.72
13	A'	1010	971	5.08
14	A'	836	803	9.17
15	A'	778	748	4.24
16	A'	366	351	8.04
17	A'	218	210	6.90
18	A"	3125	3003	32.06
19	A"	3093	2973	8.65
20	A"	1566	1505	4.83
21	A"	1324	1272	0.00
22	A"	1208	1161	5.80
23	A"	1040	999	0.02
24	A"	849	816	0.75
25	A"	323	311	27.23
26	A"	234	225	3.46
27	A"	46	44	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	-2.214	-0.232	0.000
C2	-0.719	-0.591	0.000
O3	0.000	0.720	0.000
C4	1.380	0.625	0.000
O5	2.012	-0.432	0.000
H6	-2.823	-1.146	0.000
H7	-2.453	0.361	0.892
H8	-2.453	0.361	-0.892
H9	-0.428	-1.162	-0.890
H10	-0.428	-1.162	0.890
H11	1.806	1.635	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5368	2.4096	3.6943	4.2303	1.0987	1.0971	1.0971	2.2020	2.2020	4.4316
C2	1.5368		1.4951	2.4258	2.7358	2.1755	2.1692	2.1692	1.0974	1.0974	3.3658
O3	2.4096	1.4951		1.3834	2.3186	3.3839	2.6342	2.6342	2.1257	2.1257	2.0243
C4	3.6943	2.4258	1.3834		1.2315	4.5606	3.9438	3.9438	2.6931	2.6931	1.0962
O5	4.2303	2.7358	2.3186	1.2315		4.8871	4.6213	4.6213	2.6973	2.6973	2.0774
H6	1.0987	2.1755	3.3839	4.5606	4.8871		1.7900	1.7900	2.5554	2.5554	5.3997
H7	1.0971	2.1692	2.6342	3.9438	4.6213	1.7900		1.7833	3.0979	2.5343	4.5334
H8	1.0971	2.1692	2.6342	3.9438	4.6213	1.7900	1.7833		2.5343	3.0979	4.5334
H9	2.2020	1.0974	2.1257	2.6931	2.6973	2.5554	3.0979	2.5343		1.7802	3.6883
H10	2.2020	1.0974	2.1257	2.6931	2.6973	2.5554	2.5343	3.0979	1.7802		3.6883
H11	4.4316	3.3658	2.0243	1.0962	2.0774	5.3997	4.5334	4.5334	3.6883	3.6883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.251	C1	C2	H9	112.352
C1	C2	H10	112.352	C2	C1	H6	110.163
C2	C1	H7	109.757	C2	C1	H8	109.757
C2	O3	C4	114.802	O3	C2	H9	109.193
O3	C2	H10	109.193	O3	C4	O5	124.825
O3	C4	H11	108.900	O5	C4	H11	126.274
H6	C1	H7	109.207	H6	C1	H8	109.207
H7	C1	H8	108.723	H9	C2	H10	108.402

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

using model chemistry: QCISD/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: QCISD/3-21G*

States and conformations

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