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	hartrees
Energy at 0K	-285.891745
Energy at 298.15K	-285.899559
HF Energy	-284.858528
Nuclear repulsion energy	216.504133

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3218	3040	9.79
2	A'	3120	2947	7.60
3	A'	3049	2880	45.78
4	A'	3045	2876	10.12
5	A'	2223	2100	6.79
6	A'	1560	1473	3.80
7	A'	1531	1446	0.58
8	A'	1526	1441	5.93
9	A'	1466	1385	9.20
10	A'	1424	1345	14.62
11	A'	1396	1318	52.47
12	A'	1192	1126	182.01
13	A'	1166	1101	17.38
14	A'	1076	1017	16.25
15	A'	967	913	6.18
16	A'	917	866	3.85
17	A'	552	522	1.26
18	A'	427	403	0.92
19	A'	301	284	2.47
20	A'	133	125	3.28
21	A"	3225	3046	9.96
22	A"	3096	2924	11.95
23	A"	3088	2917	41.54
24	A"	1513	1429	5.58
25	A"	1318	1245	2.45
26	A"	1277	1206	3.14
27	A"	1205	1138	5.98
28	A"	1049	991	0.95
29	A"	833	787	0.81
30	A"	367	347	1.89
31	A"	256	242	0.31
32	A"	117	110	5.81
33	A"	80	75	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.993	2.507	0.000
C2	-1.258	1.018	0.000
O3	0.000	0.363	0.000
C4	-0.166	-1.030	0.000
C5	1.159	-1.653	0.000
N6	2.205	-2.182	0.000
H7	-1.933	3.059	0.000
H8	-0.422	2.786	0.885
H9	-0.422	2.786	-0.885
H10	-1.835	0.720	-0.886
H11	-1.835	0.720	0.886
H12	-0.718	-1.373	-0.886
H13	-0.718	-1.373	0.886

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5122	2.3627	3.6318	4.6831	5.6754	1.0905	1.0896	1.0896	2.1651	2.1651	3.9893	3.9893
C2	1.5122		1.4186	2.3206	3.6020	4.7153	2.1496	2.1472	2.1472	1.0988	1.0988	2.6066	2.6066
O3	2.3627	1.4186		1.4024	2.3249	3.3671	3.3176	2.6145	2.6145	2.0690	2.0690	2.0772	2.0772
C4	3.6318	2.3206	1.4024		1.4642	2.6367	4.4540	3.9259	3.9259	2.5752	2.5752	1.0991	1.0991
C5	4.6831	3.6020	2.3249	1.4642		1.1727	5.6357	4.7947	4.7947	3.9215	3.9215	2.0945	2.0945
N6	5.6754	4.7153	3.3671	2.6367	1.1727		6.6777	5.6893	5.6893	5.0528	5.0528	3.1603	3.1603
H7	1.0905	2.1496	3.3176	4.4540	5.6357	6.6777		1.7724	1.7724	2.5031	2.5031	4.6802	4.6802
H8	1.0896	2.1472	2.6145	3.9259	4.7947	5.6893	1.7724		1.7693	3.0668	2.5038	4.5308	4.1704
H9	1.0896	2.1472	2.6145	3.9259	4.7947	5.6893	1.7724	1.7693		2.5038	3.0668	4.1704	4.5308
H10	2.1651	1.0988	2.0690	2.5752	3.9215	5.0528	2.5031	3.0668	2.5038		1.7726	2.3724	2.9614
H11	2.1651	1.0988	2.0690	2.5752	3.9215	5.0528	2.5031	2.5038	3.0668	1.7726		2.9614	2.3724
H12	3.9893	2.6066	2.0772	1.0991	2.0945	3.1603	4.6802	4.5308	4.1704	2.3724	2.9614		1.7722
H13	3.9893	2.6066	2.0772	1.0991	2.0945	3.1603	4.6802	4.1704	4.5308	2.9614	2.3724	1.7722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.407	C1	C2	H10	111.049
C1	C2	H11	111.049	C2	C1	H7	110.315
C2	C1	H8	110.174	C2	C1	H9	110.174
C2	O3	C4	110.696	O3	C2	H10	109.905
O3	C2	H11	109.905	O3	C4	C5	108.375
O3	C4	H12	111.709	O3	C4	H13	111.709
C4	C5	N6	178.389	C5	C4	H12	108.756
C5	C4	H13	108.756	H7	C1	H8	108.784
H7	C1	H9	108.784	H8	C1	H9	108.565
H10	C2	H11	107.538	H12	C4	H13	107.462

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)