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	hartrees
Energy at 0K	-282.630557
Energy at 298.15K	-282.638024
HF Energy	-282.630557
Nuclear repulsion energy	211.696985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3545	3127	0.03
2	A'	3370	2973	0.08
3	A'	3297	2908	11.20
4	A'	3269	2884	6.76
5	A'	2440	2152	21.17
6	A'	1703	1502	3.39
7	A'	1682	1484	4.67
8	A'	1648	1454	2.59
9	A'	1583	1396	5.92
10	A'	1527	1347	7.86
11	A'	1450	1279	60.99
12	A'	1264	1115	21.35
13	A'	1214	1071	14.45
14	A'	1128	995	3.24
15	A'	1010	891	1.82
16	A'	974	859	1.60
17	A'	564	498	0.21
18	A'	439	387	0.72
19	A'	307	271	1.25
20	A'	133	118	1.87
21	A"	3548	3130	0.10
22	A"	3400	2999	10.65
23	A"	3359	2963	2.53
24	A"	1680	1482	3.89
25	A"	1383	1220	0.17
26	A"	1292	1139	1.71
27	A"	1238	1092	8.40
28	A"	1067	941	0.19
29	A"	887	783	2.11
30	A"	379	335	0.72
31	A"	209	184	0.15
32	A"	127	112	4.19
33	A"	86	76	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-1.431	2.375	0.000
C2	-1.405	0.832	0.000
O3	0.000	0.416	0.000
C4	-0.006	-1.047	0.000
C5	1.414	-1.523	0.000
N6	2.541	-1.909	0.000
H7	-2.469	2.729	0.000
H8	-0.924	2.765	0.891
H9	-0.924	2.765	-0.891
H10	-1.934	0.440	-0.896
H11	-1.934	0.440	0.896
H12	-0.519	-1.465	-0.898
H13	-0.519	-1.465	0.898

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5424	2.4252	3.7061	4.8256	5.8418	1.0975	1.0972	1.0972	2.1900	2.1900	4.0470	4.0470
C2	1.5424		1.4654	2.3429	3.6738	4.8052	2.1749	2.1818	2.1818	1.1116	1.1116	2.6208	2.6208
O3	2.4252	1.4654		1.4630	2.4003	3.4446	3.3833	2.6764	2.6764	2.1316	2.1316	2.1482	2.1482
C4	3.7061	2.3429	1.4630		1.4977	2.6891	4.5084	4.0205	4.0205	2.5947	2.5947	1.1158	1.1158
C5	4.8256	3.6738	2.4003	1.4977		1.1914	5.7588	4.9646	4.9646	3.9836	3.9836	2.1325	2.1325
N6	5.8418	4.8052	3.4446	2.6891	1.1914		6.8278	5.8861	5.8861	5.1334	5.1334	3.2202	3.2202
H7	1.0975	2.1749	3.3833	4.5084	5.7588	6.8278		1.7845	1.7845	2.5152	2.5152	4.7115	4.7115
H8	1.0972	2.1818	2.6764	4.0205	4.9646	5.8861	1.7845		1.7828	3.1010	2.5343	4.6103	4.2489
H9	1.0972	2.1818	2.6764	4.0205	4.9646	5.8861	1.7845	1.7828		2.5343	3.1010	4.2489	4.6103
H10	2.1900	1.1116	2.1316	2.5947	3.9836	5.1334	2.5152	3.1010	2.5343		1.7915	2.3732	2.9749
H11	2.1900	1.1116	2.1316	2.5947	3.9836	5.1334	2.5152	2.5343	3.1010	1.7915		2.9749	2.3732
H12	4.0470	2.6208	2.1482	1.1158	2.1325	3.2202	4.7115	4.6103	4.2489	2.3732	2.9749		1.7963
H13	4.0470	2.6208	2.1482	1.1158	2.1325	3.2202	4.7115	4.2489	4.6103	2.9749	2.3732	1.7963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.446	C1	C2	H10	110.156
C1	C2	H11	110.156	C2	C1	H7	109.797
C2	C1	H8	110.359	C2	C1	H9	110.359
C2	O3	C4	106.267	O3	C2	H10	110.865
O3	C2	H11	110.865	O3	C4	C5	108.329
O3	C4	H12	112.121	O3	C4	H13	112.121
C4	C5	N6	179.656	C5	C4	H12	108.475
C5	C4	H13	108.475	H7	C1	H8	108.807
H7	C1	H9	108.807	H8	C1	H9	108.672
H10	C2	H11	107.374	H12	C4	H13	107.207

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: PBE1PBE/STO-3G

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: PBE1PBE/STO-3G

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)