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	hartrees
Energy at 0K	-285.309087
Energy at 298.15K	-285.316648
HF Energy	-284.688701
Nuclear repulsion energy	211.556120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	3004	21.60
2	A'	3076	2923	14.70
3	A'	3026	2875	36.63
4	A'	3024	2873	26.18
5	A'	2120	2014	11.59
6	A'	1596	1516	1.67
7	A'	1576	1497	0.30
8	A'	1572	1494	8.32
9	A'	1491	1417	11.54
10	A'	1469	1396	1.29
11	A'	1410	1340	53.55
12	A'	1171	1113	9.26
13	A'	1086	1032	111.25
14	A'	1020	969	32.78
15	A'	948	901	8.77
16	A'	863	820	11.69
17	A'	517	491	0.32
18	A'	413	392	1.16
19	A'	273	259	1.87
20	A'	120	114	2.41
21	A"	3181	3022	23.08
22	A"	3070	2917	11.77
23	A"	3067	2914	67.28
24	A"	1559	1481	5.86
25	A"	1329	1263	0.11
26	A"	1255	1193	2.18
27	A"	1208	1148	8.27
28	A"	1063	1010	2.19
29	A"	863	820	0.80
30	A"	301	286	0.47
31	A"	251	239	0.68
32	A"	100	95	9.92
33	A"	70	67	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.907	2.592	0.000
C2	-1.276	1.111	0.000
O3	0.000	0.360	0.000
C4	-0.210	-1.093	0.000
C5	1.120	-1.733	0.000
N6	2.194	-2.268	0.000
H7	-1.815	3.211	0.000
H8	-0.314	2.832	0.890
H9	-0.314	2.832	-0.890
H10	-1.860	0.837	-0.894
H11	-1.860	0.837	0.894
H12	-0.779	-1.403	-0.893
H13	-0.779	-1.403	0.893

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5264	2.4091	3.7501	4.7761	5.7648	1.0989	1.0962	1.0962	2.1884	2.1884	4.0954	4.0954
C2	1.5264		1.4803	2.4477	3.7183	4.8430	2.1681	2.1637	2.1637	1.1030	1.1030	2.7134	2.7134
O3	2.4091	1.4803		1.4681	2.3736	3.4234	3.3795	2.6467	2.6467	2.1186	2.1186	2.1240	2.1240
C4	3.7501	2.4477	1.4681		1.4765	2.6762	4.5931	4.0265	4.0265	2.6920	2.6920	1.1029	1.1029
C5	4.7761	3.7183	2.3736	1.4765		1.1997	5.7491	4.8673	4.8673	4.0357	4.0357	2.1243	2.1243
N6	5.7648	4.8430	3.4234	2.6762	1.1997		6.7887	5.7531	5.7531	5.1844	5.1844	3.2223	3.2223
H7	1.0989	2.1681	3.3795	4.5931	5.7491	6.7887		1.7854	1.7854	2.5372	2.5372	4.8121	4.8121
H8	1.0962	2.1637	2.6467	4.0265	4.8673	5.7531	1.7854		1.7805	3.0916	2.5246	4.6189	4.2608
H9	1.0962	2.1637	2.6467	4.0265	4.8673	5.7531	1.7854	1.7805		2.5246	3.0916	4.2608	4.6189
H10	2.1884	1.1030	2.1186	2.6920	4.0357	5.1844	2.5372	3.0916	2.5246		1.7886	2.4873	3.0628
H11	2.1884	1.1030	2.1186	2.6920	4.0357	5.1844	2.5372	2.5246	3.0916	1.7886		3.0628	2.4873
H12	4.0954	2.7134	2.1240	1.1029	2.1243	3.2223	4.8121	4.6189	4.2608	2.4873	3.0628		1.7859
H13	4.0954	2.7134	2.1240	1.1029	2.1243	3.2223	4.8121	4.2608	4.6189	3.0628	2.4873	1.7859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.493	C1	C2	H10	111.656
C1	C2	H11	111.656	C2	C1	H7	110.290
C2	C1	H8	110.100	C2	C1	H9	110.100
C2	O3	C4	112.239	O3	C2	H10	109.324
O3	C2	H11	109.324	O3	C4	C5	107.434
O3	C4	H12	110.606	O3	C4	H13	110.606
C4	C5	N6	179.176	C5	C4	H12	110.042
C5	C4	H13	110.042	H7	C1	H8	108.853
H7	C1	H9	108.853	H8	C1	H9	108.605
H10	C2	H11	108.344	H12	C4	H13	108.118

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: MP2=FULL/6-31G

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/6-31G

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)