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	hartrees
Energy at 0K	-285.902351
Energy at 298.15K	-285.910183
HF Energy	-284.889556
Nuclear repulsion energy	216.187329

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3020	17.59
2	A'	3096	2933	12.43
3	A'	3042	2881	45.08
4	A'	3034	2873	29.99
5	A'	2216	2099	8.79
6	A'	1573	1489	4.66
7	A'	1545	1463	1.74
8	A'	1541	1459	7.44
9	A'	1481	1403	9.05
10	A'	1443	1367	23.06
11	A'	1416	1341	45.06
12	A'	1189	1126	171.28
13	A'	1176	1114	35.69
14	A'	1079	1021	20.49
15	A'	974	923	9.11
16	A'	922	873	4.31
17	A'	560	530	0.86
18	A'	430	407	1.14
19	A'	304	288	1.72
20	A'	134	127	3.05
21	A"	3198	3029	18.69
22	A"	3085	2922	0.39
23	A"	3078	2915	71.63
24	A"	1523	1443	9.09
25	A"	1333	1263	2.99
26	A"	1294	1226	3.34
27	A"	1216	1152	7.46
28	A"	1055	999	1.84
29	A"	843	798	0.50
30	A"	363	344	1.03
31	A"	263	249	0.42
32	A"	114	108	6.49
33	A"	75	71	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	-1.004	2.509	0.000
C2	-1.261	1.019	0.000
O3	0.000	0.364	0.000
C4	-0.162	-1.032	0.000
C5	1.164	-1.659	0.000
N6	2.213	-2.181	0.000
H7	-1.948	3.058	0.000
H8	-0.433	2.793	0.885
H9	-0.433	2.793	-0.885
H10	-1.835	0.719	-0.889
H11	-1.835	0.719	0.889
H12	-0.713	-1.374	-0.888
H13	-0.713	-1.374	0.888

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5115	2.3682	3.6398	4.6974	5.6871	1.0922	1.0906	1.0906	2.1641	2.1641	3.9935	3.9935
C2	1.5115		1.4215	2.3276	3.6128	4.7239	2.1511	2.1478	2.1478	1.0995	1.0995	2.6110	2.6110
O3	2.3682	1.4215		1.4055	2.3334	3.3726	3.3246	2.6212	2.6212	2.0696	2.0696	2.0776	2.0776
C4	3.6398	2.3276	1.4055		1.4664	2.6386	4.4632	3.9354	3.9354	2.5799	2.5799	1.0994	1.0994
C5	4.6974	3.6128	2.3334	1.4664		1.1723	5.6506	4.8112	4.8112	3.9289	3.9289	2.0955	2.0955
N6	5.6871	4.7239	3.3726	2.6386	1.1723		6.6905	5.7031	5.7031	5.0586	5.0586	3.1625	3.1625
H7	1.0922	2.1511	3.3246	4.4632	5.6506	6.6905		1.7741	1.7741	2.5045	2.5045	4.6857	4.6857
H8	1.0906	2.1478	2.6212	3.9354	4.8112	5.7031	1.7741		1.7706	3.0675	2.5026	4.5367	4.1757
H9	1.0906	2.1478	2.6212	3.9354	4.8112	5.7031	1.7741	1.7706		2.5026	3.0675	4.1757	4.5367
H10	2.1641	1.0995	2.0696	2.5799	3.9289	5.0586	2.5045	3.0675	2.5026		1.7771	2.3750	2.9660
H11	2.1641	1.0995	2.0696	2.5799	3.9289	5.0586	2.5045	2.5026	3.0675	1.7771		2.9660	2.3750
H12	3.9935	2.6110	2.0776	1.0994	2.0955	3.1625	4.6857	4.5367	4.1757	2.3750	2.9660		1.7763
H13	3.9935	2.6110	2.0776	1.0994	2.0955	3.1625	4.6857	4.1757	4.5367	2.9660	2.3750	1.7763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.656	C1	C2	H10	110.975
C1	C2	H11	110.975	C2	C1	H7	110.384
C2	C1	H8	110.211	C2	C1	H9	110.211
C2	O3	C4	110.839	O3	C2	H10	109.702
O3	C2	H11	109.702	O3	C4	C5	108.660
O3	C4	H12	111.490	O3	C4	H13	111.490
C4	C5	N6	178.825	C5	C4	H12	108.672
C5	C4	H13	108.672	H7	C1	H8	108.729
H7	C1	H9	108.729	H8	C1	H9	108.529
H10	C2	H11	107.828	H12	C4	H13	107.781

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)