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	hartrees
Energy at 0K	-285.955278
Energy at 298.15K	-285.963086
HF Energy	-284.899867
Nuclear repulsion energy	216.209201

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3190	3026	17.14
2	A'	3097	2937	12.02
3	A'	3041	2885	41.63
4	A'	3032	2876	32.95
5	A'	2218	2104	9.35
6	A'	1557	1477	3.71
7	A'	1526	1448	1.15
8	A'	1523	1445	6.05
9	A'	1471	1395	9.04
10	A'	1426	1353	32.47
11	A'	1405	1333	39.36
12	A'	1189	1128	182.63
13	A'	1171	1111	22.61
14	A'	1077	1022	19.86
15	A'	971	921	8.03
16	A'	921	873	5.07
17	A'	559	530	0.83
18	A'	427	405	0.94
19	A'	301	286	1.58
20	A'	133	126	3.07
21	A"	3198	3034	18.08
22	A"	3083	2925	2.38
23	A"	3076	2918	67.45
24	A"	1502	1425	6.78
25	A"	1323	1255	3.70
26	A"	1283	1217	3.97
27	A"	1209	1147	6.76
28	A"	1047	993	2.18
29	A"	840	797	0.23
30	A"	361	342	1.07
31	A"	261	247	0.46
32	A"	109	104	5.70
33	A"	69	66	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	-1.014	2.505	0.000
C2	-1.263	1.013	0.000
O3	0.000	0.364	0.000
C4	-0.159	-1.032	0.000
C5	1.169	-1.655	0.000
N6	2.221	-2.172	0.000
H7	-1.963	3.047	0.000
H8	-0.445	2.790	0.887
H9	-0.445	2.790	-0.887
H10	-1.836	0.712	-0.889
H11	-1.836	0.712	0.889
H12	-0.707	-1.376	-0.889
H13	-0.707	-1.376	0.889

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5127	2.3690	3.6392	4.6982	5.6866	1.0929	1.0915	1.0915	2.1638	2.1638	3.9938	3.9938
C2	1.5127		1.4204	2.3245	3.6104	4.7206	2.1507	2.1480	2.1480	1.1000	1.1000	2.6096	2.6096
O3	2.3690	1.4204		1.4053	2.3331	3.3709	3.3243	2.6210	2.6210	2.0700	2.0700	2.0782	2.0782
C4	3.6392	2.3245	1.4053		1.4665	2.6386	4.4602	3.9342	3.9342	2.5784	2.5784	1.0997	1.0997
C5	4.6982	3.6104	2.3331	1.4665		1.1722	5.6496	4.8115	4.8115	3.9276	3.9276	2.0941	2.0941
N6	5.6866	4.7206	3.3709	2.6386	1.1722		6.6888	5.7019	5.7019	5.0567	5.0567	3.1613	3.1613
H7	1.0929	2.1507	3.3243	4.4602	5.6496	6.6888		1.7770	1.7770	2.5015	2.5015	4.6832	4.6832
H8	1.0915	2.1480	2.6210	3.9342	4.8115	5.7019	1.7770		1.7733	3.0674	2.5008	4.5366	4.1745
H9	1.0915	2.1480	2.6210	3.9342	4.8115	5.7019	1.7770	1.7733		2.5008	3.0674	4.1745	4.5366
H10	2.1638	1.1000	2.0700	2.5784	3.9276	5.0567	2.5015	3.0674	2.5008		1.7789	2.3744	2.9669
H11	2.1638	1.1000	2.0700	2.5784	3.9276	5.0567	2.5015	2.5008	3.0674	1.7789		2.9669	2.3744
H12	3.9938	2.6096	2.0782	1.0997	2.0941	3.1613	4.6832	4.5366	4.1745	2.3744	2.9669		1.7789
H13	3.9938	2.6096	2.0782	1.0997	2.0941	3.1613	4.6832	4.1745	4.5366	2.9669	2.3744	1.7789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.698	C1	C2	H10	110.836
C1	C2	H11	110.836	C2	C1	H7	110.219
C2	C1	H8	110.090	C2	C1	H9	110.090
C2	O3	C4	110.692	O3	C2	H10	109.776
O3	C2	H11	109.776	O3	C4	C5	108.646
O3	C4	H12	111.538	O3	C4	H13	111.538
C4	C5	N6	179.000	C5	C4	H12	108.534
C5	C4	H13	108.534	H7	C1	H8	108.876
H7	C1	H9	108.876	H8	C1	H9	108.652
H10	C2	H11	107.919	H12	C4	H13	107.965

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)