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	hartrees
Energy at 0K	-265.338659
Energy at 298.15K	-265.345953
HF Energy	-265.338659
Nuclear repulsion energy	177.102477

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'	3302	2980	58.09	111.12	0.29	0.44
2	A'	3280	2961	28.19	52.73	0.72	0.84
3	A'	3251	2934	8.39	100.21	0.19	0.31
4	A'	3216	2903	14.87	94.75	0.03	0.05
5	A'	1911	1725	286.02	5.38	0.35	0.52
6	A'	1692	1528	8.69	3.81	0.70	0.82
7	A'	1672	1509	5.02	27.97	0.75	0.86
8	A'	1580	1426	9.76	3.40	0.75	0.86
9	A'	1542	1392	9.74	1.82	0.71	0.83
10	A'	1539	1389	5.61	6.68	0.60	0.75
11	A'	1315	1187	538.25	0.89	0.24	0.38
12	A'	1236	1116	10.90	6.14	0.16	0.28
13	A'	1075	971	10.08	7.56	0.74	0.85
14	A'	911	823	16.62	15.72	0.30	0.46
15	A'	846	764	6.60	4.68	0.41	0.58
16	A'	391	353	9.52	1.77	0.41	0.58
17	A'	226	204	10.18	0.51	0.44	0.61
18	A"	3307	2985	43.98	1.65	0.75	0.86
19	A"	3280	2960	0.06	106.64	0.75	0.86
20	A"	1658	1496	5.77	24.19	0.75	0.86
21	A"	1427	1288	0.14	13.16	0.75	0.86
22	A"	1294	1168	8.76	2.21	0.75	0.86
23	A"	1181	1066	2.97	4.43	0.75	0.86
24	A"	905	817	0.65	0.06	0.75	0.86
25	A"	334	301	41.06	2.17	0.75	0.86
26	A"	241	217	5.19	0.56	0.75	0.86
27	A"	58	52	0.45	0.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.191	-0.269	0.000
C2	-0.710	-0.613	0.000
O3	0.000	0.666	0.000
C4	1.342	0.654	0.000
O5	2.016	-0.340	0.000
H6	-2.787	-1.174	0.000
H7	-2.435	0.314	0.878
H8	-2.435	0.314	-0.878
H9	-0.421	-1.174	-0.877
H10	-0.421	-1.174	0.877
H11	1.720	1.662	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5208	2.3821	3.6520	4.2076	1.0835	1.0818	1.0818	2.1728	2.1728	4.3619
C2	1.5208		1.4628	2.4118	2.7393	2.1511	2.1462	2.1462	1.0797	1.0797	3.3288
O3	2.3821	1.4628		1.3425	2.2530	3.3391	2.6121	2.6121	2.0805	2.0805	1.9878
C4	3.6520	2.4118	1.3425		1.2006	4.5154	3.8927	3.8927	2.6863	2.6863	1.0764
O5	4.2076	2.7393	2.2530	1.2006		4.8743	4.5833	4.5833	2.7203	2.7203	2.0235
H6	1.0835	2.1511	3.3391	4.5154	4.8743		1.7632	1.7632	2.5230	2.5230	5.3248
H7	1.0818	2.1462	2.6121	3.8927	4.5833	1.7632		1.7568	3.0574	2.5035	4.4556
H8	1.0818	2.1462	2.6121	3.8927	4.5833	1.7632	1.7568		2.5035	3.0574	4.4556
H9	2.1728	1.0797	2.0805	2.6863	2.7203	2.5230	3.0574	2.5035		1.7532	3.6594
H10	2.1728	1.0797	2.0805	2.6863	2.7203	2.5230	2.5035	3.0574	1.7532		3.6594
H11	4.3619	3.3288	1.9878	1.0764	2.0235	5.3248	4.4556	4.4556	3.6594	3.6594

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.937	C1	C2	H9	112.225
C1	C2	H10	112.225	C2	C1	H6	110.247
C2	C1	H7	109.951	C2	C1	H8	109.951
C2	O3	C4	118.513	O3	C2	H9	108.895
O3	C2	H10	108.895	O3	C4	O5	124.636
O3	C4	H11	110.043	O5	C4	H11	125.321
H6	C1	H7	109.040	H6	C1	H8	109.040
H7	C1	H8	108.578	H9	C2	H10	108.553

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.614
2	C	-0.103
3	O	-0.692
4	C	0.648
5	O	-0.589
6	H	0.206
7	H	0.226
8	H	0.226
9	H	0.229
10	H	0.229
11	H	0.233

	x	y	z	Total
	-1.916	0.545	0.000	1.992
CHELPG
AIM
ESP

	x	y	z
x	5.840	0.124	0.000
y	0.124	4.898	0.000
z	0.000	0.000	3.580

<r²>	137.149
(<r²>)^1/2	11.711

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

using model chemistry: HF/3-21G*

States and conformations

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