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	hartrees
Energy at 0K	-284.871728
Energy at 298.15K	-284.879825
HF Energy	-284.871728
Nuclear repulsion energy	217.268718

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3251	2961	37.46
2	A'	3180	2895	17.77
3	A'	3172	2889	44.15
4	A'	3142	2861	43.42
5	A'	2597	2365	4.40
6	A'	1630	1485	4.17
7	A'	1605	1462	3.14
8	A'	1598	1455	2.65
9	A'	1569	1429	5.19
10	A'	1520	1384	46.97
11	A'	1491	1358	56.49
12	A'	1281	1166	243.42
13	A'	1246	1134	40.94
14	A'	1136	1034	17.64
15	A'	1017	926	20.39
16	A'	964	878	1.20
17	A'	604	550	2.20
18	A'	447	407	1.57
19	A'	327	298	3.31
20	A'	144	131	4.38
21	A"	3262	2970	41.26
22	A"	3211	2924	20.48
23	A"	3177	2893	46.46
24	A"	1578	1437	5.62
25	A"	1404	1279	4.01
26	A"	1365	1243	3.07
27	A"	1276	1162	6.32
28	A"	1119	1019	2.02
29	A"	877	799	0.16
30	A"	409	373	3.76
31	A"	272	248	0.43
32	A"	117	106	7.64
33	A"	78	71	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	-0.776	2.587	0.000
C2	-1.171	1.126	0.000
O3	0.000	0.342	0.000
C4	-0.245	-1.022	0.000
C5	1.043	-1.747	0.000
N6	2.012	-2.338	0.000
H7	-1.670	3.211	0.000
H8	-0.186	2.823	0.884
H9	-0.186	2.823	-0.884
H10	-1.770	0.888	-0.885
H11	-1.770	0.888	0.885
H12	-0.805	-1.333	-0.885
H13	-0.805	-1.333	0.885

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5137	2.3750	3.6476	4.6997	5.6593	1.0905	1.0892	1.0892	2.1582	2.1582	4.0181	4.0181
C2	1.5137		1.4094	2.3390	3.6268	4.7046	2.1437	2.1531	2.1531	1.0943	1.0943	2.6383	2.6383
O3	2.3750	1.4094		1.3858	2.3347	3.3515	3.3193	2.6406	2.6406	2.0527	2.0527	2.0580	2.0580
C4	3.6476	2.3390	1.3858		1.4776	2.6127	4.4661	3.9460	3.9460	2.5992	2.5992	1.0924	1.0924
C5	4.6997	3.6268	2.3347	1.4776		1.1355	5.6512	4.8141	4.8141	3.9542	3.9542	2.0901	2.0901
N6	5.6593	4.7046	3.3515	2.6127	1.1355		6.6595	5.6791	5.6791	5.0492	5.0492	3.1193	3.1193
H7	1.0905	2.1437	3.3193	4.4661	5.6512	6.6595		1.7710	1.7710	2.4876	2.4876	4.7087	4.7087
H8	1.0892	2.1531	2.6406	3.9460	4.8141	5.6791	1.7710		1.7688	3.0637	2.5014	4.5590	4.2017
H9	1.0892	2.1531	2.6406	3.9460	4.8141	5.6791	1.7710	1.7688		2.5014	3.0637	4.2017	4.5590
H10	2.1582	1.0943	2.0527	2.5992	3.9542	5.0492	2.4876	3.0637	2.5014		1.7691	2.4211	2.9988
H11	2.1582	1.0943	2.0527	2.5992	3.9542	5.0492	2.4876	2.5014	3.0637	1.7691		2.9988	2.4211
H12	4.0181	2.6383	2.0580	1.0924	2.0901	3.1193	4.7087	4.5590	4.2017	2.4211	2.9988		1.7699
H13	4.0181	2.6383	2.0580	1.0924	2.0901	3.1193	4.7087	4.2017	4.5590	2.9988	2.4211	1.7699

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.629	C1	C2	H10	110.663
C1	C2	H11	110.663	C2	C1	H7	109.739
C2	C1	H8	110.558	C2	C1	H9	110.558
C2	O3	C4	113.608	O3	C2	H10	109.502
O3	C2	H11	109.502	O3	C4	C5	109.204
O3	C4	H12	111.744	O3	C4	H13	111.744
C4	C5	N6	177.990	C5	C4	H12	107.895
C5	C4	H13	107.895	H7	C1	H8	108.679
H7	C1	H9	108.679	H8	C1	H9	108.578
H10	C2	H11	107.867	H12	C4	H13	108.212

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: HF/aug-cc-pVDZ

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: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)