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	hartrees
Energy at 0K	-283.872321
Energy at 298.15K	-283.880151
HF Energy	-283.243115
Nuclear repulsion energy	212.764106

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3127	2991	18.79
2	A'	3058	2925	10.27
3	A'	3009	2878	27.19
4	A'	3003	2872	20.07
5	A'	2334	2232	4.82
6	A'	1611	1541	2.62
7	A'	1591	1522	2.18
8	A'	1583	1514	6.85
9	A'	1480	1416	10.43
10	A'	1476	1412	0.29
11	A'	1409	1348	55.70
12	A'	1170	1119	30.12
13	A'	1108	1060	90.93
14	A'	1003	960	4.29
15	A'	948	906	17.55
16	A'	886	847	3.57
17	A'	572	547	0.83
18	A'	413	395	1.48
19	A'	305	291	1.89
20	A'	132	127	1.99
21	A"	3136	3000	20.39
22	A"	3034	2902	9.40
23	A"	3034	2902	58.08
24	A"	1567	1499	5.10
25	A"	1337	1279	0.09
26	A"	1289	1233	0.65
27	A"	1213	1161	8.26
28	A"	1078	1031	1.82
29	A"	868	831	0.92
30	A"	430	412	0.22
31	A"	245	235	0.83
32	A"	108	103	7.75
33	A"	79	75	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	-0.932	2.567	0.000
C2	-1.288	1.071	0.000
O3	0.000	0.356	0.000
C4	-0.199	-1.093	0.000
C5	1.143	-1.711	0.000
N6	2.205	-2.198	0.000
H7	-1.844	3.179	0.000
H8	-0.337	2.800	0.891
H9	-0.337	2.800	-0.891
H10	-1.875	0.802	-0.894
H11	-1.875	0.802	0.894
H12	-0.755	-1.425	-0.893
H13	-0.755	-1.425	0.893

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5384	2.3996	3.7332	4.7547	5.7058	1.0979	1.0964	1.0964	2.1916	2.1916	4.0947	4.0947
C2	1.5384		1.4728	2.4223	3.6938	4.7842	2.1807	2.1656	2.1656	1.1027	1.1027	2.7034	2.7034
O3	2.3996	1.4728		1.4629	2.3618	3.3747	3.3719	2.6233	2.6233	2.1245	2.1245	2.1306	2.1306
C4	3.7332	2.4223	1.4629		1.4771	2.6461	4.5781	3.9966	3.9966	2.6834	2.6834	1.1028	1.1028
C5	4.7547	3.6938	2.3618	1.4771		1.1690	5.7299	4.8306	4.8306	4.0275	4.0275	2.1168	2.1168
N6	5.7058	4.7842	3.3747	2.6461	1.1690		6.7315	5.6786	5.6786	5.1430	5.1430	3.1874	3.1874
H7	1.0979	2.1807	3.3719	4.5781	5.7299	6.7315		1.7908	1.7908	2.5397	2.5397	4.8146	4.8146
H8	1.0964	2.1656	2.6233	3.9966	4.8306	5.6786	1.7908		1.7821	3.0891	2.5210	4.6054	4.2459
H9	1.0964	2.1656	2.6233	3.9966	4.8306	5.6786	1.7908	1.7821		2.5210	3.0891	4.2459	4.6054
H10	2.1916	1.1027	2.1245	2.6834	4.0275	5.1430	2.5397	3.0891	2.5210		1.7883	2.4929	3.0671
H11	2.1916	1.1027	2.1245	2.6834	4.0275	5.1430	2.5397	2.5210	3.0891	1.7883		3.0671	2.4929
H12	4.0947	2.7034	2.1306	1.1028	2.1168	3.1874	4.8146	4.6054	4.2459	2.4929	3.0671		1.7852
H13	4.0947	2.7034	2.1306	1.1028	2.1168	3.1874	4.8146	4.2459	4.6054	3.0671	2.4929	1.7852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.648	C1	C2	H10	111.083
C1	C2	H11	111.083	C2	C1	H7	110.504
C2	C1	H8	109.404	C2	C1	H9	109.404
C2	O3	C4	111.197	O3	C2	H10	110.331
O3	C2	H11	110.331	O3	C4	C5	106.895
O3	C4	H12	111.511	O3	C4	H13	111.511
C4	C5	N6	179.941	C5	C4	H12	109.413
C5	C4	H13	109.413	H7	C1	H8	109.390
H7	C1	H9	109.390	H8	C1	H9	108.722
H10	C2	H11	108.367	H12	C4	H13	108.073

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: CCD/3-21G*

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: CCD/3-21G*

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)