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	hartrees
Energy at 0K	-285.790460
Energy at 298.15K	-285.798274
HF Energy	-284.889229
Nuclear repulsion energy	216.006236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3027	17.97
2	A'	3093	2939	12.63
3	A'	3039	2888	45.40
4	A'	3031	2880	29.99
5	A'	2210	2100	9.02
6	A'	1572	1494	4.47
7	A'	1544	1468	1.70
8	A'	1540	1463	7.37
9	A'	1480	1406	9.10
10	A'	1442	1370	22.00
11	A'	1414	1344	46.08
12	A'	1186	1127	161.38
13	A'	1174	1115	45.98
14	A'	1075	1022	20.30
15	A'	971	923	9.57
16	A'	920	874	4.21
17	A'	558	530	0.83
18	A'	429	407	1.14
19	A'	302	287	1.67
20	A'	134	127	3.06
21	A"	3195	3036	19.08
22	A"	3083	2930	0.52
23	A"	3076	2923	72.04
24	A"	1523	1447	8.94
25	A"	1331	1265	2.95
26	A"	1292	1228	3.32
27	A"	1215	1155	7.42
28	A"	1054	1002	1.90
29	A"	841	800	0.47
30	A"	359	341	1.01
31	A"	262	249	0.42
32	A"	113	108	6.48
33	A"	74	71	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	-0.931	2.532	0.000
C2	-1.236	1.049	0.000
O3	0.000	0.357	0.000
C4	-0.192	-1.029	0.000
C5	1.124	-1.686	0.000
N6	2.159	-2.223	0.000
H7	-1.859	3.108	0.000
H8	-0.352	2.797	0.886
H9	-0.352	2.797	-0.886
H10	-1.823	0.773	-0.889
H11	-1.823	0.773	0.889
H12	-0.745	-1.367	-0.889
H13	-0.745	-1.367	0.889

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5135	2.3657	3.6363	4.6912	5.6707	1.0926	1.0911	1.0911	2.1631	2.1631	4.0033	4.0033
C2	1.5135		1.4167	2.3255	3.6121	4.7152	2.1510	2.1498	2.1498	1.1005	1.1005	2.6211	2.6211
O3	2.3657	1.4167		1.3987	2.3311	3.3641	3.3205	2.6199	2.6199	2.0706	2.0706	2.0781	2.0781
C4	3.6363	2.3255	1.3987		1.4703	2.6366	4.4601	3.9304	3.9304	2.5880	2.5880	1.1005	1.1005
C5	4.6912	3.6121	2.3311	1.4703		1.1664	5.6459	4.8018	4.8018	3.9394	3.9394	2.0940	2.0940
N6	5.6707	4.7152	3.3641	2.6366	1.1664		6.6758	5.6828	5.6828	5.0620	5.0620	3.1554	3.1554
H7	1.0926	2.1510	3.3205	4.4601	5.6459	6.6758		1.7757	1.7757	2.4987	2.4987	4.6967	4.6967
H8	1.0911	2.1498	2.6199	3.9304	4.8018	5.6828	1.7757		1.7717	3.0678	2.5026	4.5439	4.1831
H9	1.0911	2.1498	2.6199	3.9304	4.8018	5.6828	1.7757	1.7717		2.5026	3.0678	4.1831	4.5439
H10	2.1631	1.1005	2.0706	2.5880	3.9394	5.0620	2.4987	3.0678	2.5026		1.7772	2.3964	2.9835
H11	2.1631	1.1005	2.0706	2.5880	3.9394	5.0620	2.4987	2.5026	3.0678	1.7772		2.9835	2.3964
H12	4.0033	2.6211	2.0781	1.1005	2.0940	3.1554	4.6967	4.5439	4.1831	2.3964	2.9835		1.7774
H13	4.0033	2.6211	2.0781	1.1005	2.0940	3.1554	4.6967	4.1831	4.5439	2.9835	2.3964	1.7774

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.633	C1	C2	H10	110.700
C1	C2	H11	110.700	C2	C1	H7	110.210
C2	C1	H8	110.200	C2	C1	H9	110.200
C2	O3	C4	111.378	O3	C2	H10	110.060
O3	C2	H11	110.060	O3	C4	C5	108.660
O3	C4	H12	111.952	O3	C4	H13	111.952
C4	C5	N6	179.085	C5	C4	H12	108.220
C5	C4	H13	108.220	H7	C1	H8	108.814
H7	C1	H9	108.814	H8	C1	H9	108.559
H10	C2	H11	107.701	H12	C4	H13	107.707

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)