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	hartrees
Energy at 0K	-285.780989
Energy at 298.15K	-285.788799
HF Energy	-284.840339
Nuclear repulsion energy	215.725082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3205	3017	23.31
2	A'	3119	2937	14.06
3	A'	3064	2885	46.31
4	A'	3052	2873	27.29
5	A'	2357	2219	1.79
6	A'	1592	1499	1.48
7	A'	1565	1473	2.81
8	A'	1559	1467	3.20
9	A'	1500	1412	9.86
10	A'	1461	1375	13.81
11	A'	1424	1341	82.74
12	A'	1202	1131	173.86
13	A'	1185	1116	19.32
14	A'	1082	1019	17.03
15	A'	975	918	12.85
16	A'	926	872	4.74
17	A'	554	522	0.99
18	A'	429	404	1.00
19	A'	301	283	2.17
20	A'	133	125	3.32
21	A"	3215	3027	23.58
22	A"	3102	2920	15.69
23	A"	3092	2911	66.41
24	A"	1543	1453	3.93
25	A"	1334	1256	2.15
26	A"	1288	1213	3.47
27	A"	1225	1153	6.70
28	A"	1066	1004	2.36
29	A"	846	796	0.11
30	A"	359	338	2.16
31	A"	262	247	0.46
32	A"	110	103	6.71
33	A"	74	70	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.933	2.541	0.000
C2	-1.243	1.059	0.000
O3	0.000	0.359	0.000
C4	-0.193	-1.037	0.000
C5	1.132	-1.689	0.000
N6	2.163	-2.237	0.000
H7	-1.858	3.120	0.000
H8	-0.355	2.804	0.885
H9	-0.355	2.804	-0.885
H10	-1.828	0.780	-0.886
H11	-1.828	0.780	0.886
H12	-0.747	-1.372	-0.886
H13	-0.747	-1.372	0.886

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5144	2.3740	3.6547	4.7078	5.6939	1.0905	1.0891	1.0891	2.1655	2.1655	4.0165	4.0165
C2	1.5144		1.4270	2.3450	3.6325	4.7398	2.1504	2.1486	2.1486	1.0976	1.0976	2.6343	2.6343
O3	2.3740	1.4270		1.4093	2.3398	3.3786	3.3281	2.6246	2.6246	2.0745	2.0745	2.0824	2.0824
C4	3.6547	2.3450	1.4093		1.4766	2.6435	4.4783	3.9454	3.9454	2.6000	2.6000	1.0970	1.0970
C5	4.7078	3.6325	2.3398	1.4766		1.1672	5.6626	4.8146	4.8146	3.9550	3.9550	2.1017	2.1017
N6	5.6939	4.7398	3.3786	2.6435	1.1672		6.6979	5.7038	5.7038	5.0805	5.0805	3.1623	3.1623
H7	1.0905	2.1504	3.3281	4.4783	5.6626	6.6979		1.7724	1.7724	2.5025	2.5025	4.7109	4.7109
H8	1.0891	2.1486	2.6246	3.9454	4.8146	5.7038	1.7724		1.7690	3.0665	2.5040	4.5525	4.1941
H9	1.0891	2.1486	2.6246	3.9454	4.8146	5.7038	1.7724	1.7690		2.5040	3.0665	4.1941	4.5525
H10	2.1655	1.0976	2.0745	2.6000	3.9550	5.0805	2.5025	3.0665	2.5040		1.7714	2.4076	2.9892
H11	2.1655	1.0976	2.0745	2.6000	3.9550	5.0805	2.5025	2.5040	3.0665	1.7714		2.9892	2.4076
H12	4.0165	2.6343	2.0824	1.0970	2.1017	3.1623	4.7109	4.5525	4.1941	2.4076	2.9892		1.7717
H13	4.0165	2.6343	2.0824	1.0970	2.1017	3.1623	4.7109	4.1941	4.5525	2.9892	2.4076	1.7717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.593	C1	C2	H10	110.999
C1	C2	H11	110.999	C2	C1	H7	110.225
C2	C1	H8	110.164	C2	C1	H9	110.164
C2	O3	C4	111.535	O3	C2	H10	109.831
O3	C2	H11	109.831	O3	C4	C5	108.313
O3	C4	H12	111.771	O3	C4	H13	111.771
C4	C5	N6	178.166	C5	C4	H12	108.596
C5	C4	H13	108.596	H7	C1	H8	108.817
H7	C1	H9	108.817	H8	C1	H9	108.612
H10	C2	H11	107.593	H12	C4	H13	107.706

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: QCISD/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: QCISD/6-31G**

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)