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	hartrees
Energy at 0K	-282.777896
Energy at 298.15K	-282.785039
HF Energy	-282.777896
Nuclear repulsion energy	208.020915

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3379	3126	0.95
2	A'	3217	2977	0.66
3	A'	3120	2886	17.38
4	A'	3083	2852	13.43
5	A'	2249	2081	24.21
6	A'	1644	1521	1.91
7	A'	1621	1500	5.45
8	A'	1584	1466	2.18
9	A'	1519	1405	1.15
10	A'	1447	1339	13.36
11	A'	1366	1264	60.53
12	A'	1184	1096	10.96
13	A'	1091	1009	25.41
14	A'	1025	948	5.13
15	A'	944	874	2.28
16	A'	897	830	1.63
17	A'	520	481	0.05
18	A'	411	380	0.53
19	A'	286	265	0.88
20	A'	124	114	1.64
21	A"	3384	3131	1.56
22	A"	3214	2974	17.49
23	A"	3163	2926	8.70
24	A"	1626	1505	3.21
25	A"	1319	1220	0.02
26	A"	1218	1127	0.87
27	A"	1171	1084	6.52
28	A"	1011	935	0.20
29	A"	853	789	1.76
30	A"	346	320	0.35
31	A"	194	180	0.09
32	A"	119	110	3.52
33	A"	78	72	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-1.485	2.394	0.000
C2	-1.448	0.828	0.000
O3	0.000	0.426	0.000
C4	0.007	-1.075	0.000
C5	1.455	-1.531	0.000
N6	2.612	-1.897	0.000
H7	-2.537	2.744	0.000
H8	-0.976	2.792	0.901
H9	-0.976	2.792	-0.901
H10	-1.976	0.426	-0.907
H11	-1.976	0.426	0.907
H12	-0.508	-1.503	-0.909
H13	-0.508	-1.503	0.909

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5673	2.4653	3.7766	4.9045	5.9325	1.1088	1.1082	1.1082	2.2228	2.2228	4.1193	4.1193
C2	1.5673		1.5023	2.3950	3.7405	4.8889	2.2041	2.2122	2.2122	1.1239	1.1239	2.6721	2.6721
O3	2.4653	1.5023		1.5015	2.4392	3.4953	3.4361	2.7134	2.7134	2.1743	2.1743	2.1921	2.1921
C4	3.7766	2.3950	1.5015		1.5185	2.7315	4.5885	4.0908	4.0908	2.6469	2.6469	1.1287	1.1287
C5	4.9045	3.7405	2.4392	1.5185		1.2130	5.8492	5.0416	5.0416	4.0528	4.0528	2.1634	2.1634
N6	5.9325	4.8889	3.4953	2.7315	1.2130		6.9313	5.9726	5.9726	5.2215	5.2215	3.2732	3.2732
H7	1.1088	2.2041	3.4361	4.5885	5.8492	6.9313		1.8028	1.8028	2.5515	2.5515	4.7932	4.7932
H8	1.1082	2.2122	2.7134	4.0908	5.0416	5.9726	1.8028		1.8016	3.1415	2.5694	4.6842	4.3204
H9	1.1082	2.2122	2.7134	4.0908	5.0416	5.9726	1.8028	1.8016		2.5694	3.1415	4.3204	4.6842
H10	2.2228	1.1239	2.1743	2.6469	4.0528	5.2215	2.5515	3.1415	2.5694		1.8135	2.4236	3.0284
H11	2.2228	1.1239	2.1743	2.6469	4.0528	5.2215	2.5515	2.5694	3.1415	1.8135		3.0284	2.4236
H12	4.1193	2.6721	2.1921	1.1287	2.1634	3.2732	4.7932	4.6842	4.3204	2.4236	3.0284		1.8182
H13	4.1193	2.6721	2.1921	1.1287	2.1634	3.2732	4.7932	4.3204	4.6842	3.0284	2.4236	1.8182

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.839	C1	C2	H10	110.278
C1	C2	H11	110.278	C2	C1	H7	109.702
C2	C1	H8	110.369	C2	C1	H9	110.369
C2	O3	C4	105.747	O3	C2	H10	110.954
O3	C2	H11	110.954	O3	C4	C5	107.742
O3	C4	H12	112.130	O3	C4	H13	112.130
C4	C5	N6	179.965	C5	C4	H12	108.724
C5	C4	H13	108.724	H7	C1	H8	108.806
H7	C1	H9	108.806	H8	C1	H9	108.750
H10	C2	H11	107.564	H12	C4	H13	107.305

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: BLYP/STO-3G

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: BLYP/STO-3G

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)