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	hartrees
Energy at 0K	-282.844803
Energy at 298.15K	-282.852214
HF Energy	-282.844803
Nuclear repulsion energy	210.943185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3513	3109	0.09
2	A'	3341	2956	0.14
3	A'	3264	2889	12.04
4	A'	3235	2863	7.62
5	A'	2403	2126	21.99
6	A'	1692	1497	3.11
7	A'	1671	1479	4.84
8	A'	1636	1448	2.46
9	A'	1571	1391	4.56
10	A'	1513	1339	8.89
11	A'	1434	1269	60.89
12	A'	1246	1103	18.70
13	A'	1190	1053	18.17
14	A'	1107	980	3.32
15	A'	997	883	1.88
16	A'	959	849	1.66
17	A'	556	492	0.17
18	A'	433	384	0.70
19	A'	304	269	1.19
20	A'	132	117	1.84
21	A"	3517	3113	0.24
22	A"	3366	2979	11.70
23	A"	3323	2941	3.24
24	A"	1671	1479	3.76
25	A"	1372	1214	0.13
26	A"	1279	1132	1.52
27	A"	1225	1085	8.02
28	A"	1057	935	0.20
29	A"	881	780	2.05
30	A"	373	330	0.66
31	A"	208	184	0.14
32	A"	124	110	4.10
33	A"	84	75	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-1.444	2.379	0.000
C2	-1.413	0.832	0.000
O3	0.000	0.418	0.000
C4	-0.002	-1.052	0.000
C5	1.424	-1.525	0.000
N6	2.555	-1.909	0.000
H7	-2.486	2.730	0.000
H8	-0.938	2.773	0.893
H9	-0.938	2.773	-0.893
H10	-1.942	0.438	-0.898
H11	-1.942	0.438	0.898
H12	-0.515	-1.472	-0.900
H13	-0.515	-1.472	0.900

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5474	2.4351	3.7216	4.8440	5.8637	1.0995	1.0991	1.0991	2.1956	2.1956	4.0631	4.0631
C2	1.5474		1.4725	2.3538	3.6882	4.8232	2.1802	2.1883	2.1883	1.1137	1.1137	2.6322	2.6322
O3	2.4351	1.4725		1.4701	2.4090	3.4565	3.3946	2.6869	2.6869	2.1396	2.1396	2.1565	2.1565
C4	3.7216	2.3538	1.4701		1.5021	2.6972	4.5246	4.0372	4.0372	2.6058	2.6058	1.1180	1.1180
C5	4.8440	3.6882	2.4090	1.5021		1.1952	5.7784	4.9843	4.9843	3.9985	3.9985	2.1377	2.1377
N6	5.8637	4.8232	3.4565	2.6972	1.1952		6.8510	5.9092	5.9092	5.1520	5.1520	3.2289	3.2289
H7	1.0995	2.1802	3.3946	4.5246	5.7784	6.8510		1.7875	1.7875	2.5205	2.5205	4.7284	4.7284
H8	1.0991	2.1883	2.6869	4.0372	4.9843	5.9092	1.7875		1.7860	3.1084	2.5409	4.6275	4.2661
H9	1.0991	2.1883	2.6869	4.0372	4.9843	5.9092	1.7875	1.7860		2.5409	3.1084	4.2661	4.6275
H10	2.1956	1.1137	2.1396	2.6058	3.9985	5.1520	2.5205	3.1084	2.5409		1.7950	2.3852	2.9867
H11	2.1956	1.1137	2.1396	2.6058	3.9985	5.1520	2.5205	2.5409	3.1084	1.7950		2.9867	2.3852
H12	4.0631	2.6322	2.1565	1.1180	2.1377	3.2289	4.7284	4.6275	4.2661	2.3852	2.9867		1.8000
H13	4.0631	2.6322	2.1565	1.1180	2.1377	3.2289	4.7284	4.2661	4.6275	2.9867	2.3852	1.8000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.452	C1	C2	H10	110.121
C1	C2	H11	110.121	C2	C1	H7	109.746
C2	C1	H8	110.405	C2	C1	H9	110.405
C2	O3	C4	106.240	O3	C2	H10	110.884
O3	C2	H11	110.884	O3	C4	C5	108.286
O3	C4	H12	112.145	O3	C4	H13	112.145
C4	C5	N6	179.611	C5	C4	H12	108.463
C5	C4	H13	108.463	H7	C1	H8	108.781
H7	C1	H9	108.781	H8	C1	H9	108.682
H10	C2	H11	107.397	H12	C4	H13	107.225

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: B3PW91/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: B3PW91/STO-3G

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)