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	hartrees
Energy at 0K	-267.251714
Energy at 298.15K	-267.258781
HF Energy	-266.690713
Nuclear repulsion energy	173.314984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3113	3000	44.46
2	A'	3098	2985	26.33
3	A'	3046	2935	10.43
4	A'	3023	2913	16.74
5	A'	1664	1604	208.07
6	A'	1565	1508	8.84
7	A'	1549	1493	4.64
8	A'	1476	1422	9.35
9	A'	1425	1374	16.20
10	A'	1400	1349	9.84
11	A'	1158	1116	288.91
12	A'	1153	1111	109.57
13	A'	1036	998	8.07
14	A'	816	786	14.94
15	A'	760	732	1.44
16	A'	370	357	6.76
17	A'	216	208	7.90
18	A"	3117	3004	41.17
19	A"	3089	2976	6.22
20	A"	1538	1482	5.40
21	A"	1309	1262	0.03
22	A"	1201	1157	6.79
23	A"	1006	969	0.04
24	A"	840	810	0.35
25	A"	322	310	33.58
26	A"	231	223	4.19
27	A"	55	53	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	-2.226	-0.245	0.000
C2	-0.738	-0.598	0.000
O3	0.000	0.706	0.000
C4	1.380	0.640	0.000
O5	2.046	-0.409	0.000
H6	-2.830	-1.169	0.000
H7	-2.482	0.344	0.894
H8	-2.482	0.344	-0.894
H9	-0.435	-1.166	-0.893
H10	-0.435	-1.166	0.893
H11	1.802	1.654	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5296	2.4212	3.7139	4.2750	1.1029	1.1007	1.1007	2.2029	2.2029	4.4531
C2	1.5296		1.4984	2.4535	2.7898	2.1685	2.1747	2.1747	1.1008	1.1008	3.3938
O3	2.4212	1.4984		1.3821	2.3300	3.3946	2.6632	2.6632	2.1196	2.1196	2.0354
C4	3.7139	2.4535	1.3821		1.2424	4.5824	3.9760	3.9760	2.7122	2.7122	1.0975
O5	4.2750	2.7898	2.3300	1.2424		4.9342	4.6765	4.6765	2.7430	2.7430	2.0773
H6	1.1029	2.1685	3.3946	4.5824	4.9342		1.7907	1.7907	2.5558	2.5558	5.4235
H7	1.1007	2.1747	2.6632	3.9760	4.6765	1.7907		1.7872	3.1086	2.5439	4.5680
H8	1.1007	2.1747	2.6632	3.9760	4.6765	1.7907	1.7872		2.5439	3.1086	4.5680
H9	2.2029	1.1008	2.1196	2.7122	2.7430	2.5558	3.1086	2.5439		1.7858	3.7082
H10	2.2029	1.1008	2.1196	2.7122	2.7430	2.5558	2.5439	3.1086	1.7858		3.7082
H11	4.4531	3.3938	2.0354	1.0975	2.0773	5.4235	4.5680	4.5680	3.7082	3.7082

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.176	C1	C2	H9	112.734
C1	C2	H10	112.734	C2	C1	H6	109.860
C2	C1	H7	110.481	C2	C1	H8	110.481
C2	O3	C4	116.750	O3	C2	H9	108.294
O3	C2	H10	108.294	O3	C4	O5	125.114
O3	C4	H11	109.813	O5	C4	H11	125.073
H6	C1	H7	108.709	H6	C1	H8	108.709
H7	C1	H8	108.553	H9	C2	H10	108.420

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

using model chemistry: QCISD/6-31G

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/6-31G

States and conformations

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