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	hartrees
Energy at 0K	-281.616605
Energy at 298.15K	-281.624068
HF Energy	-281.243037
Nuclear repulsion energy	209.732867

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3564	3168	0.96
2	A'	3383	3007	0.85
3	A'	3331	2961	10.21
4	A'	3319	2950	6.07
5	A'	2112	1878	56.67
6	A'	1739	1546	1.77
7	A'	1718	1527	3.25
8	A'	1696	1508	0.54
9	A'	1617	1437	2.13
10	A'	1562	1388	12.55
11	A'	1498	1331	75.41
12	A'	1285	1142	9.21
13	A'	1237	1100	7.39
14	A'	1141	1014	2.15
15	A'	1015	902	0.71
16	A'	966	859	1.40
17	A'	549	488	0.19
18	A'	444	395	0.45
19	A'	304	270	1.04
20	A'	132	117	1.79
21	A"	3567	3171	1.24
22	A"	3438	3056	11.79
23	A"	3420	3040	6.49
24	A"	1718	1527	1.23
25	A"	1416	1259	0.54
26	A"	1335	1187	1.55
27	A"	1265	1124	9.04
28	A"	1095	974	2.15
29	A"	899	799	0.38
30	A"	347	309	0.75
31	A"	213	189	0.23
32	A"	127	113	3.78
33	A"	88	79	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-1.363	2.438	0.000
C2	-1.391	0.880	0.000
O3	0.000	0.412	0.000
C4	-0.052	-1.054	0.000
C5	1.376	-1.573	0.000
N6	2.526	-2.000	0.000
H7	-2.393	2.833	0.000
H8	-0.840	2.812	0.896
H9	-0.840	2.812	-0.896
H10	-1.938	0.507	-0.899
H11	-1.938	0.507	0.899
H12	-0.579	-1.455	-0.901
H13	-0.579	-1.455	0.901

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5586	2.4418	3.7299	4.8574	5.9009	1.1031	1.1027	1.1027	2.2065	2.2065	4.0721	4.0721
C2	1.5586		1.4679	2.3522	3.6983	4.8622	2.1947	2.2003	2.2003	1.1160	1.1160	2.6311	2.6311
O3	2.4418	1.4679		1.4668	2.4158	3.4928	3.4037	2.6960	2.6960	2.1384	2.1384	2.1525	2.1525
C4	3.7299	2.3522	1.4668		1.5198	2.7465	4.5370	4.0459	4.0459	2.6078	2.6078	1.1185	1.1185
C5	4.8574	3.6983	2.4158	1.5198		1.2267	5.7982	4.9946	4.9946	4.0150	4.0150	2.1564	2.1564
N6	5.9009	4.8622	3.4928	2.7465	1.2267		6.8958	5.9404	5.9404	5.1984	5.1984	3.2794	3.2794
H7	1.1031	2.1947	3.4037	4.5370	5.7982	6.8958		1.7932	1.7932	2.5345	2.5345	4.7418	4.7418
H8	1.1027	2.2003	2.6960	4.0459	4.9946	5.9404	1.7932		1.7914	3.1212	2.5539	4.6374	4.2752
H9	1.1027	2.2003	2.6960	4.0459	4.9946	5.9404	1.7932	1.7914		2.5539	3.1212	4.2752	4.6374
H10	2.2065	1.1160	2.1384	2.6078	4.0150	5.1984	2.5345	3.1212	2.5539		1.7971	2.3864	2.9890
H11	2.2065	1.1160	2.1384	2.6078	4.0150	5.1984	2.5345	2.5539	3.1212	1.7971		2.9890	2.3864
H12	4.0721	2.6311	2.1525	1.1185	2.1564	3.2794	4.7418	4.6374	4.2752	2.3864	2.9890		1.8024
H13	4.0721	2.6311	2.1525	1.1185	2.1564	3.2794	4.7418	4.2752	4.6374	2.9890	2.3864	1.8024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.530	C1	C2	H10	110.068
C1	C2	H11	110.068	C2	C1	H7	109.902
C2	C1	H8	110.363	C2	C1	H9	110.363
C2	O3	C4	106.551	O3	C2	H10	110.973
O3	C2	H11	110.973	O3	C4	C5	107.960
O3	C4	H12	112.030	O3	C4	H13	112.030
C4	C5	N6	179.651	C5	C4	H12	108.689
C5	C4	H13	108.689	H7	C1	H8	108.769
H7	C1	H9	108.769	H8	C1	H9	108.630
H10	C2	H11	107.247	H12	C4	H13	107.357

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: MP2=FULL/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: MP2=FULL/STO-3G

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)