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	hartrees
Energy at 0K	-246.686350
Energy at 298.15K	-246.692063
HF Energy	-245.814912
Nuclear repulsion energy	160.271176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3224	3045	10.72
2	A	3176	3000	2.65
3	A	3148	2973	24.66
4	A	3070	2900	21.91
5	A	3068	2898	25.70
6	A	2207	2085	7.56
7	A	1540	1454	8.76
8	A	1523	1438	7.49
9	A	1510	1426	2.49
10	A	1497	1414	1.56
11	A	1405	1327	14.65
12	A	1330	1256	6.29
13	A	1239	1170	44.77
14	A	1204	1137	8.39
15	A	1182	1116	87.21
16	A	1045	987	6.23
17	A	970	916	27.61
18	A	913	863	15.33
19	A	598	565	1.92
20	A	401	379	2.56
21	A	360	340	1.28
22	A	266	252	9.18
23	A	183	173	4.62
24	A	121	115	8.18

Atom	x (Å)	y (Å)	z (Å)
C1	1.524	-0.788	0.139
O2	1.087	0.429	-0.441
C3	-0.043	0.938	0.210
C4	-1.226	0.073	0.038
N5	-2.151	-0.636	-0.099
H6	2.420	-1.085	-0.402
H7	0.766	-1.572	0.044
H8	1.767	-0.654	1.199
H9	-0.253	1.916	-0.226
H10	0.131	1.070	1.287

	C1	O2	C3	C4	N5	H6	H7	H8	H9	H10
C1		1.4174	2.3321	2.8834	3.6855	1.0878	1.0948	1.0961	3.2556	2.5903
O2	1.4174		1.3996	2.3884	3.4252	2.0180	2.0842	2.0803	2.0124	2.0761
C3	2.3321	1.3996		1.4759	2.6492	3.2455	2.6426	2.6056	1.0908	1.0983
C4	2.8834	2.3884	1.4759		1.1735	3.8506	2.5837	3.2920	2.1001	2.0961
N5	3.6855	3.4252	2.6492	1.1735		4.6024	3.0666	4.1277	3.1825	3.1681
H6	1.0878	2.0180	3.2455	3.8506	4.6024		1.7806	1.7820	4.0223	3.5687
H7	1.0948	2.0842	2.6426	2.5837	3.0666	1.7806		1.7831	3.6434	2.9878
H8	1.0961	2.0803	2.6056	3.2920	4.1277	1.7820	1.7831		3.5659	2.3785
H9	3.2556	2.0124	1.0908	2.1001	3.1825	4.0223	3.6434	3.5659		1.7753
H10	2.5903	2.0761	1.0983	2.0961	3.1681	3.5687	2.9878	2.3785	1.7753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.760	O2	C1	H6	106.585
O2	C1	H7	111.476	O2	C1	H8	111.072
O2	C3	C4	112.296	O2	C3	H9	107.162
O2	C3	H10	111.866	C3	C4	N5	178.682
C4	C3	H9	108.890	C4	C3	H10	108.140
H6	C1	H7	109.341	H6	C1	H8	109.364
H7	C1	H8	108.953	H9	C3	H10	108.385

All results from a given calculation for CH₃OCH₂CN (Methoxyacetonitrile)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

	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 CH3OCH2CN (Methoxyacetonitrile)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

All results from a given calculation for CH₃OCH₂CN (Methoxyacetonitrile)