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	hartrees
Energy at 0K	-265.806504
Energy at 298.15K	-265.813705
HF Energy	-265.336965
Nuclear repulsion energy	175.596213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3206	3018	19.55
2	A'	3176	2990	57.47
3	A'	3156	2971	12.21
4	A'	3139	2954	11.97
5	A'	1802	1697	211.42
6	A'	1636	1540	8.72
7	A'	1619	1524	4.86
8	A'	1523	1433	9.50
9	A'	1476	1389	10.78
10	A'	1475	1389	5.92
11	A'	1235	1162	431.07
12	A'	1188	1119	13.15
13	A'	1047	985	6.49
14	A'	876	825	11.08
15	A'	811	763	5.42
16	A'	378	356	8.68
17	A'	223	210	7.97
18	A"	3221	3032	32.70
19	A"	3192	3005	6.54
20	A"	1606	1512	5.46
21	A"	1367	1287	0.01
22	A"	1247	1174	6.94
23	A"	1099	1035	0.46
24	A"	873	822	0.78
25	A"	331	312	31.38
26	A"	239	225	4.08
27	A"	52	49	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	-2.201	-0.246	0.000
C2	-0.714	-0.596	0.000
O3	0.000	0.700	0.000
C4	1.363	0.634	0.000
O5	2.009	-0.399	0.000
H6	-2.803	-1.156	0.000
H7	-2.442	0.342	0.885
H8	-2.442	0.342	-0.885
H9	-0.423	-1.164	-0.884
H10	-0.423	-1.164	0.884
H11	1.773	1.642	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5278	2.3955	3.6714	4.2126	1.0913	1.0897	1.0897	2.1871	2.1871	4.3994
C2	1.5278		1.4797	2.4143	2.7300	2.1625	2.1564	2.1564	1.0895	1.0895	3.3457
O3	2.3955	1.4797		1.3650	2.2895	3.3615	2.6220	2.6220	2.1054	2.1054	2.0076
C4	3.6714	2.4143	1.3650		1.2177	4.5344	3.9179	3.9179	2.6842	2.6842	1.0879
O5	4.2126	2.7300	2.2895	1.2177		4.8708	4.5980	4.5980	2.6984	2.6984	2.0541
H6	1.0913	2.1625	3.3615	4.5344	4.8708		1.7772	1.7772	2.5381	2.5381	5.3633
H7	1.0897	2.1564	2.6220	3.9179	4.5980	1.7772		1.7707	3.0775	2.5183	4.4987
H8	1.0897	2.1564	2.6220	3.9179	4.5980	1.7772	1.7707		2.5183	3.0775	4.4987
H9	2.1871	1.0895	2.1054	2.6842	2.6984	2.5381	3.0775	2.5183		1.7671	3.6709
H10	2.1871	1.0895	2.1054	2.6842	2.6984	2.5381	2.5183	3.0775	1.7671		3.6709
H11	4.3994	3.3457	2.0076	1.0879	2.0541	5.3633	4.4987	4.4987	3.6709	3.6709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.586	C1	C2	H9	112.278
C1	C2	H10	112.278	C2	C1	H6	110.200
C2	C1	H7	109.816	C2	C1	H8	109.816
C2	O3	C4	116.087	O3	C2	H9	109.116
O3	C2	H10	109.116	O3	C4	O5	124.771
O3	C4	H11	109.347	O5	C4	H11	125.882
H6	C1	H7	109.151	H6	C1	H8	109.151
H7	C1	H8	108.678	H9	C2	H10	108.374

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

using model chemistry: CISD/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: CISD/3-21G

States and conformations

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