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	hartrees
Energy at 0K	-267.967034
Energy at 298.15K	-267.960329
HF Energy	-266.827356
Nuclear repulsion energy	179.329986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3275	3275	37.26	66.92	0.69	0.82
2	A'	3270	3270	76.37	109.67	0.25	0.40
3	A'	3244	3244	15.21	99.39	0.18	0.30
4	A'	3201	3201	21.29	97.94	0.02	0.03
5	A'	2004	2004	421.83	5.36	0.35	0.52
6	A'	1660	1660	6.01	1.92	0.71	0.83
7	A'	1633	1633	1.97	19.98	0.75	0.85
8	A'	1574	1574	18.50	4.80	0.63	0.77
9	A'	1542	1542	5.79	4.88	0.56	0.72
10	A'	1527	1527	0.91	0.39	0.32	0.48
11	A'	1369	1369	559.81	1.12	0.18	0.30
12	A'	1234	1234	19.04	5.94	0.19	0.32
13	A'	1114	1114	19.11	5.19	0.74	0.85
14	A'	945	945	19.90	8.33	0.34	0.51
15	A'	860	860	3.17	4.73	0.44	0.61
16	A'	408	408	7.04	1.64	0.37	0.54
17	A'	245	245	9.07	0.38	0.38	0.55
18	A"	3303	3303	60.00	5.45	0.75	0.86
19	A"	3274	3274	3.43	108.59	0.75	0.86
20	A"	1620	1620	3.88	17.48	0.75	0.86
21	A"	1423	1423	1.74	9.86	0.75	0.86
22	A"	1291	1291	5.92	0.89	0.75	0.86
23	A"	1182	1182	5.28	3.22	0.75	0.86
24	A"	873	873	0.04	0.12	0.75	0.86
25	A"	354	354	30.27	1.86	0.75	0.86
26	A"	254	254	4.23	0.66	0.75	0.86
27	A"	78	78	0.75	0.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.169	-0.296	0.000
C2	-0.682	-0.585	0.000
O3	0.000	0.668	0.000
C4	1.314	0.643	0.000
O5	1.988	-0.325	0.000
H6	-2.728	-1.229	0.000
H7	-2.450	0.274	0.881
H8	-2.450	0.274	-0.881
H9	-0.381	-1.148	-0.877
H10	-0.381	-1.148	0.877
H11	1.704	1.660	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5151	2.3736	3.6077	4.1574	1.0877	1.0865	1.0865	2.1664	2.1664	4.3391
C2	1.5151		1.4273	2.3441	2.6828	2.1445	2.1547	2.1547	1.0844	1.0844	3.2767
O3	2.3736	1.4273		1.3146	2.2227	3.3226	2.6336	2.6336	2.0523	2.0523	1.9719
C4	3.6077	2.3441	1.3146		1.1798	4.4545	3.8840	3.8840	2.6171	2.6171	1.0891
O5	4.1574	2.6828	2.2227	1.1798		4.8017	4.5647	4.5647	2.6566	2.6566	2.0055
H6	1.0877	2.1445	3.3226	4.4545	4.8017		1.7644	1.7644	2.5068	2.5068	5.2904
H7	1.0865	2.1547	2.6336	3.8840	4.5647	1.7644		1.7627	3.0654	2.5108	4.4675
H8	1.0865	2.1547	2.6336	3.8840	4.5647	1.7644	1.7627		2.5108	3.0654	4.4675
H9	2.1664	1.0844	2.0523	2.6171	2.6566	2.5068	3.0654	2.5108		1.7543	3.6054
H10	2.1664	1.0844	2.0523	2.6171	2.6566	2.5068	2.5108	3.0654	1.7543		3.6054
H11	4.3391	3.2767	1.9719	1.0891	2.0055	5.2904	4.4675	4.4675	3.6054	3.6054

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.512	C1	C2	H9	111.825
C1	C2	H10	111.825	C2	C1	H6	109.872
C2	C1	H7	110.754	C2	C1	H8	110.754
C2	O3	C4	117.437	O3	C2	H9	108.820
O3	C2	H10	108.820	O3	C4	O5	125.935
O3	C4	H11	109.878	O5	C4	H11	124.187
H6	C1	H7	108.487	H6	C1	H8	108.487
H7	C1	H8	108.418	H9	C2	H10	107.967

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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