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	hartrees
Energy at 0K	-286.692979
Energy at 298.15K	-286.700752
HF Energy	-286.692979
Nuclear repulsion energy	216.131868

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3105	3004	19.62
2	A'	3040	2941	13.79
3	A'	2973	2876	60.79
4	A'	2965	2869	20.30
5	A'	2366	2289	0.85
6	A'	1525	1475	4.55
7	A'	1501	1452	1.36
8	A'	1494	1445	5.43
9	A'	1443	1396	7.90
10	A'	1412	1366	7.50
11	A'	1380	1335	48.86
12	A'	1148	1111	59.56
13	A'	1134	1097	181.88
14	A'	1037	1003	17.01
15	A'	953	922	8.11
16	A'	895	866	6.47
17	A'	557	539	1.34
18	A'	418	404	1.15
19	A'	301	291	2.52
20	A'	133	129	3.54
21	A"	3112	3011	21.96
22	A"	2995	2898	6.52
23	A"	2989	2892	55.51
24	A"	1484	1436	6.60
25	A"	1302	1260	2.14
26	A"	1259	1219	3.21
27	A"	1182	1144	5.77
28	A"	1031	997	0.99
29	A"	827	800	0.60
30	A"	373	360	1.85
31	A"	243	235	0.23
32	A"	111	108	6.67
33	A"	78	75	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.962	2.542	0.000
C2	-1.244	1.056	0.000
O3	0.000	0.358	0.000
C4	-0.165	-1.039	0.000
C5	1.147	-1.688	0.000
N6	2.159	-2.231	0.000
H7	-1.899	3.099	0.000
H8	-0.391	2.825	0.884
H9	-0.391	2.825	-0.884
H10	-1.825	0.768	-0.886
H11	-1.825	0.768	0.886
H12	-0.719	-1.378	-0.885
H13	-0.719	-1.378	0.885

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5126	2.3862	3.6684	4.7260	5.7024	1.0905	1.0894	1.0894	2.1623	2.1623	4.0261	4.0261
C2	1.5126		1.4269	2.3567	3.6396	4.7315	2.1455	2.1538	2.1538	1.0975	1.0975	2.6429	2.6429
O3	2.3862	1.4269		1.4066	2.3453	3.3710	3.3347	2.6496	2.6496	2.0698	2.0698	2.0773	2.0773
C4	3.6684	2.3567	1.4066		1.4635	2.6119	4.4868	3.9702	3.9702	2.6090	2.6090	1.0982	1.0982
C5	4.7260	3.6396	2.3453	1.4635		1.1488	5.6738	4.8488	4.8488	3.9559	3.9559	2.0885	2.0885
N6	5.7024	4.7315	3.3710	2.6119	1.1488		6.6990	5.7311	5.7311	5.0649	5.0649	3.1299	3.1299
H7	1.0905	2.1455	3.3347	4.4868	5.6738	6.6990		1.7691	1.7691	2.4946	2.4946	4.7141	4.7141
H8	1.0894	2.1538	2.6496	3.9702	4.8488	5.7311	1.7691		1.7680	3.0688	2.5071	4.5721	4.2159
H9	1.0894	2.1538	2.6496	3.9702	4.8488	5.7311	1.7691	1.7680		2.5071	3.0688	4.2159	4.5721
H10	2.1623	1.0975	2.0698	2.6090	3.9559	5.0649	2.4946	3.0688	2.5071		1.7717	2.4147	2.9946
H11	2.1623	1.0975	2.0698	2.6090	3.9559	5.0649	2.4946	2.5071	3.0688	1.7717		2.9946	2.4147
H12	4.0261	2.6429	2.0773	1.0982	2.0885	3.1299	4.7141	4.5721	4.2159	2.4147	2.9946		1.7706
H13	4.0261	2.6429	2.0773	1.0982	2.0885	3.1299	4.7141	4.2159	4.5721	2.9946	2.4147	1.7706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.505	C1	C2	H10	110.877
C1	C2	H11	110.877	C2	C1	H7	109.961
C2	C1	H8	110.681	C2	C1	H9	110.681
C2	O3	C4	112.552	O3	C2	H10	109.463
O3	C2	H11	109.463	O3	C4	C5	109.583
O3	C4	H12	111.466	O3	C4	H13	111.466
C4	C5	N6	178.110	C5	C4	H12	108.389
C5	C4	H13	108.389	H7	C1	H8	108.492
H7	C1	H9	108.492	H8	C1	H9	108.467
H10	C2	H11	107.638	H12	C4	H13	107.440

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

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: B3LYPultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)