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	hartrees
Energy at 0K	-266.744947
Energy at 298.15K	-266.752225
HF Energy	-266.744947
Nuclear repulsion energy	176.234245

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'	3371	3035	47.86	108.41	0.27	0.43
2	A'	3301	2973	56.26	53.13	0.72	0.83
3	A'	3269	2944	16.58	122.80	0.11	0.20
4	A'	3214	2894	32.49	135.66	0.02	0.03
5	A'	1838	1655	434.20	8.52	0.27	0.42
6	A'	1669	1503	13.65	4.66	0.62	0.76
7	A'	1650	1485	6.43	17.29	0.74	0.85
8	A'	1579	1422	18.78	2.38	0.53	0.69
9	A'	1543	1389	5.29	1.97	0.73	0.84
10	A'	1510	1359	12.83	5.94	0.50	0.66
11	A'	1312	1181	559.10	1.42	0.30	0.46
12	A'	1241	1118	10.29	10.10	0.23	0.37
13	A'	1114	1003	14.91	7.45	0.70	0.83
14	A'	896	807	27.31	14.12	0.26	0.41
15	A'	817	736	2.93	6.05	0.48	0.65
16	A'	395	355	8.50	2.06	0.38	0.55
17	A'	221	199	12.12	0.70	0.48	0.65
18	A"	3338	3005	71.62	7.12	0.75	0.86
19	A"	3308	2978	9.11	89.63	0.75	0.86
20	A"	1634	1472	8.45	15.80	0.75	0.86
21	A"	1417	1276	1.05	15.86	0.75	0.86
22	A"	1297	1168	10.02	1.68	0.75	0.86
23	A"	1149	1035	1.39	1.61	0.75	0.86
24	A"	896	807	0.59	0.17	0.75	0.86
25	A"	335	302	49.87	1.43	0.75	0.86
26	A"	240	216	6.24	0.55	0.75	0.86
27	A"	63	57	1.18	0.44	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.205	-0.286	0.000
C2	-0.724	-0.618	0.000
O3	0.000	0.654	0.000
C4	1.341	0.669	0.000
O5	2.050	-0.316	0.000
H6	-2.787	-1.201	0.000
H7	-2.467	0.290	0.878
H8	-2.467	0.290	-0.878
H9	-0.429	-1.176	-0.877
H10	-0.429	-1.176	0.877
H11	1.711	1.681	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5179	2.3968	3.6724	4.2550	1.0843	1.0822	1.0822	2.1720	2.1720	4.3819
C2	1.5179		1.4636	2.4336	2.7903	2.1437	2.1529	2.1529	1.0804	1.0804	3.3489
O3	2.3968	1.4636		1.3410	2.2675	3.3475	2.6438	2.6438	2.0735	2.0735	1.9955
C4	3.6724	2.4336	1.3410		1.2138	4.5318	3.9263	3.9263	2.7028	2.7028	1.0771
O5	4.2550	2.7903	2.2675	1.2138		4.9172	4.6413	4.6413	2.7660	2.7660	2.0255
H6	1.0843	2.1437	3.3475	4.5318	4.9172		1.7594	1.7594	2.5165	2.5165	5.3417
H7	1.0822	2.1529	2.6438	3.9263	4.6413	1.7594		1.7557	3.0635	2.5111	4.4899
H8	1.0822	2.1529	2.6438	3.9263	4.6413	1.7594	1.7557		2.5111	3.0635	4.4899
H9	2.1720	1.0804	2.0735	2.7028	2.7660	2.5165	3.0635	2.5111		1.7541	3.6752
H10	2.1720	1.0804	2.0735	2.7028	2.7660	2.5165	2.5111	3.0635	1.7541		3.6752
H11	4.3819	3.3489	1.9955	1.0771	2.0255	5.3417	4.4899	4.4899	3.6752	3.6752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.989	C1	C2	H9	112.329
C1	C2	H10	112.329	C2	C1	H6	109.809
C2	C1	H7	110.670	C2	C1	H8	110.670
C2	O3	C4	120.325	O3	C2	H9	108.244
O3	C2	H10	108.244	O3	C4	O5	125.059
O3	C4	H11	110.751	O5	C4	H11	124.189
H6	C1	H7	108.606	H6	C1	H8	108.606
H7	C1	H8	108.420	H9	C2	H10	108.544

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

using model chemistry: HF/SDD

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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Number	Element	Mulliken
1	C	-0.552
2	C	-0.047
3	O	-0.485
4	C	0.334
5	O	-0.408
6	H	0.175
7	H	0.195
8	H	0.195
9	H	0.197
10	H	0.197
11	H	0.200

	x	y	z
x	6.149	-0.016	0.000
y	-0.016	5.105	0.000
z	0.000	0.000	3.841

<r²>	139.469
(<r²>)^1/2	11.810

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

using model chemistry: HF/SDD

States and conformations

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