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	hartrees
Energy at 0K	-285.822271
Energy at 298.15K	-285.830115
HF Energy	-284.892394
Nuclear repulsion energy	216.189029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3145	3004	22.56
2	A'	3062	2925	13.84
3	A'	3024	2888	37.81
4	A'	3008	2872	33.75
5	A'	2379	2272	1.91
6	A'	1569	1498	4.62
7	A'	1543	1474	4.38
8	A'	1532	1463	4.66
9	A'	1489	1422	6.05
10	A'	1447	1382	35.36
11	A'	1422	1358	46.15
12	A'	1214	1160	185.22
13	A'	1185	1132	22.69
14	A'	1088	1039	17.03
15	A'	978	934	12.12
16	A'	927	885	2.38
17	A'	566	541	0.91
18	A'	432	413	1.28
19	A'	308	294	1.84
20	A'	136	130	3.24
21	A"	3151	3010	23.95
22	A"	3060	2922	15.84
23	A"	3046	2909	55.92
24	A"	1514	1446	7.92
25	A"	1333	1273	3.70
26	A"	1299	1240	2.85
27	A"	1216	1162	7.42
28	A"	1058	1010	2.40
29	A"	838	800	0.29
30	A"	371	354	1.43
31	A"	257	246	0.48
32	A"	112	107	6.79
33	A"	73	70	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	-0.962	2.531	0.000
C2	-1.245	1.040	0.000
O3	0.000	0.360	0.000
C4	-0.177	-1.031	0.000
C5	1.148	-1.680	0.000
N6	2.173	-2.216	0.000
H7	-1.900	3.097	0.000
H8	-0.386	2.807	0.888
H9	-0.386	2.807	-0.888
H10	-1.827	0.751	-0.890
H11	-1.827	0.751	0.890
H12	-0.730	-1.370	-0.890
H13	-0.730	-1.370	0.890

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5169	2.3747	3.6469	4.7097	5.6885	1.0953	1.0941	1.0941	2.1693	2.1693	4.0071	4.0071
C2	1.5169		1.4191	2.3303	3.6230	4.7207	2.1581	2.1559	2.1559	1.1021	1.1021	2.6201	2.6201
O3	2.3747	1.4191		1.4015	2.3403	3.3696	3.3319	2.6317	2.6317	2.0701	2.0701	2.0772	2.0772
C4	3.6469	2.3303	1.4015		1.4751	2.6316	4.4726	3.9445	3.9445	2.5870	2.5870	1.1012	1.1012
C5	4.7097	3.6230	2.3403	1.4751		1.1566	5.6661	4.8240	4.8240	3.9440	3.9440	2.1009	2.1009
N6	5.6885	4.7207	3.3696	2.6316	1.1566		6.6941	5.7063	5.7063	5.0595	5.0595	3.1517	3.1517
H7	1.0953	2.1581	3.3319	4.4726	5.6661	6.6941		1.7792	1.7792	2.5095	2.5095	4.7019	4.7019
H8	1.0941	2.1559	2.6317	3.9445	4.8240	5.7063	1.7792		1.7752	3.0764	2.5108	4.5521	4.1907
H9	1.0941	2.1559	2.6317	3.9445	4.8240	5.7063	1.7792	1.7752		2.5108	3.0764	4.1907	4.5521
H10	2.1693	1.1021	2.0701	2.5870	3.9440	5.0595	2.5095	3.0764	2.5108		1.7802	2.3881	2.9785
H11	2.1693	1.1021	2.0701	2.5870	3.9440	5.0595	2.5095	2.5108	3.0764	1.7802		2.9785	2.3881
H12	4.0071	2.6201	2.0772	1.1012	2.1009	3.1517	4.7019	4.5521	4.1907	2.3881	2.9785		1.7798
H13	4.0071	2.6201	2.0772	1.1012	2.1009	3.1517	4.7019	4.1907	4.5521	2.9785	2.3881	1.7798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.917	C1	C2	H10	110.853
C1	C2	H11	110.853	C2	C1	H7	110.372
C2	C1	H8	110.272	C2	C1	H9	110.272
C2	O3	C4	111.410	O3	C2	H10	109.744
O3	C2	H11	109.744	O3	C4	C5	108.862
O3	C4	H12	111.633	O3	C4	H13	111.633
C4	C5	N6	178.503	C5	C4	H12	108.393
C5	C4	H13	108.393	H7	C1	H8	108.714
H7	C1	H9	108.714	H8	C1	H9	108.445
H10	C2	H11	107.730	H12	C4	H13	107.824

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: CCD/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: CCD/6-311G*

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)