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	hartrees
Energy at 0K	-285.325471
Energy at 298.15K	-285.332997
HF Energy	-284.727845
Nuclear repulsion energy	209.816289

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3138	3029	32.74
2	A'	3036	2931	23.44
3	A'	3015	2911	46.44
4	A'	3004	2900	54.64
5	A'	2064	1992	13.13
6	A'	1552	1498	3.18
7	A'	1542	1489	4.79
8	A'	1534	1481	2.68
9	A'	1464	1413	13.37
10	A'	1445	1395	0.30
11	A'	1394	1345	51.33
12	A'	1149	1109	10.82
13	A'	1067	1030	118.75
14	A'	1001	966	32.38
15	A'	931	898	9.56
16	A'	844	814	10.22
17	A'	521	503	0.28
18	A'	400	386	1.60
19	A'	280	270	1.96
20	A'	124	120	2.05
21	A"	3157	3048	35.01
22	A"	3075	2968	19.31
23	A"	3064	2957	62.61
24	A"	1524	1471	7.63
25	A"	1300	1255	0.13
26	A"	1243	1200	0.99
27	A"	1183	1142	9.30
28	A"	1050	1013	2.92
29	A"	854	824	1.90
30	A"	336	325	0.04
31	A"	239	231	0.69
32	A"	98	94	11.61
33	A"	62	60	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.920	2.612	0.000
C2	-1.291	1.117	0.000
O3	0.000	0.364	0.000
C4	-0.211	-1.101	0.000
C5	1.132	-1.746	0.000
N6	2.217	-2.287	0.000
H7	-1.836	3.230	0.000
H8	-0.326	2.856	0.896
H9	-0.326	2.856	-0.896
H10	-1.871	0.839	-0.903
H11	-1.871	0.839	0.903
H12	-0.772	-1.414	-0.902
H13	-0.772	-1.414	0.902

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5408	2.4289	3.7803	4.8170	5.8168	1.1051	1.1021	1.1021	2.2058	2.2058	4.1285	4.1285
C2	1.5408		1.4946	2.4670	3.7509	4.8877	2.1815	2.1814	2.1814	1.1088	1.1088	2.7364	2.7364
O3	2.4289	1.4946		1.4804	2.3946	3.4554	3.4031	2.6679	2.6679	2.1316	2.1316	2.1382	2.1382
C4	3.7803	2.4670	1.4804		1.4902	2.7019	4.6252	4.0588	4.0588	2.7085	2.7085	1.1075	1.1075
C5	4.8170	3.7509	2.3946	1.4902		1.2118	5.7935	4.9097	4.9097	4.0645	4.0645	2.1334	2.1334
N6	5.8168	4.8877	3.4554	2.7019	1.2118		6.8449	5.8063	5.8063	5.2248	5.2248	3.2419	3.2419
H7	1.1051	2.1815	3.4031	4.6252	5.7935	6.8449		1.7955	1.7955	2.5553	2.5553	4.8482	4.8482
H8	1.1021	2.1814	2.6679	4.0588	4.9097	5.8063	1.7955		1.7920	3.1133	2.5408	4.6544	4.2930
H9	1.1021	2.1814	2.6679	4.0588	4.9097	5.8063	1.7955	1.7920		2.5408	3.1133	4.2930	4.6544
H10	2.2058	1.1088	2.1316	2.7085	4.0645	5.2248	2.5553	3.1133	2.5408		1.8061	2.5068	3.0892
H11	2.2058	1.1088	2.1316	2.7085	4.0645	5.2248	2.5553	2.5408	3.1133	1.8061		3.0892	2.5068
H12	4.1285	2.7364	2.1382	1.1075	2.1334	3.2419	4.8482	4.6544	4.2930	2.5068	3.0892		1.8043
H13	4.1285	2.7364	2.1382	1.1075	2.1334	3.2419	4.8482	4.2930	4.6544	3.0892	2.5068	1.8043

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.286	C1	C2	H10	111.677
C1	C2	H11	111.677	C2	C1	H7	109.984
C2	C1	H8	110.149	C2	C1	H9	110.149
C2	O3	C4	112.036	O3	C2	H10	109.021
O3	C2	H11	109.021	O3	C4	C5	107.433
O3	C4	H12	110.599	O3	C4	H13	110.599
C4	C5	N6	179.139	C5	C4	H12	109.544
C5	C4	H13	109.544	H7	C1	H8	108.871
H7	C1	H9	108.871	H8	C1	H9	108.782
H10	C2	H11	109.069	H12	C4	H13	109.098

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: MP2/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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All results from a given calculation for C4H7NO (Ethoxyacetonitrile)

using model chemistry: MP2/SDD

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)