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	hartrees
Energy at 0K	-228.325891
Energy at 298.15K	-228.330490
HF Energy	-227.778446
Nuclear repulsion energy	120.154638

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3295	3050	12.63
2	A'	3163	2928	42.68
3	A'	3124	2892	51.53
4	A'	1969	1823	403.16
5	A'	1591	1473	18.58
6	A'	1570	1454	1.17
7	A'	1511	1399	2.49
8	A'	1335	1236	274.03
9	A'	1217	1126	111.08
10	A'	1109	1026	69.55
11	A'	664	615	9.80
12	A'	362	335	0.95
13	A"	3240	2999	32.39
14	A"	1592	1473	6.79
15	A"	1238	1146	1.51
16	A"	1109	1027	4.01
17	A"	175	162	0.75
18	A"	60	56	9.82

Atom	x (Å)	y (Å)	z (Å)
C1	1.400	0.896	0.000
O2	0.000	0.632	0.000
C3	-0.359	-0.657	0.000
O4	-1.498	-1.011	0.000
H5	1.498	1.975	0.000
H6	1.875	0.489	0.892
H7	1.875	0.489	-0.892
H8	0.492	-1.352	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.4243	2.3461	3.4689	1.0837	1.0891	1.0891	2.4243
O2	1.4243		1.3383	2.2239	2.0117	2.0808	2.0808	2.0446
C3	2.3461	1.3383		1.1927	3.2212	2.6640	2.6640	1.0989
O4	3.4689	2.2239	1.1927		4.2302	3.7973	3.7973	2.0188
H5	1.0837	2.0117	3.2212	4.2302		1.7736	1.7736	3.4760
H6	1.0891	2.0808	2.6640	3.7973	1.7736		1.7833	2.4690
H7	1.0891	2.0808	2.6640	3.7973	1.7736	1.7833		2.4690
H8	2.4243	2.0446	1.0989	2.0188	3.4760	2.4690	2.4690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	116.217	O2	C1	H5	105.860
O2	C1	H6	111.062	O2	C1	H7	111.062
O2	C3	O4	122.852	O2	C3	H8	113.688
O4	C3	H8	123.460	H5	C1	H6	109.425
H5	C1	H7	109.425	H6	C1	H7	109.912

All results from a given calculation for CH₃OCHO (methyl formate)

using model chemistry: CISD/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 CH3OCHO (methyl formate)

using model chemistry: CISD/6-31G*

States and conformations

All results from a given calculation for CH₃OCHO (methyl formate)