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	hartrees
Energy at 0K	-284.855489
Energy at 298.15K	-284.863588
HF Energy	-284.855489
Nuclear repulsion energy	217.519497

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3269	2969	33.94
2	A'	3191	2898	18.66
3	A'	3179	2886	39.44
4	A'	3145	2856	43.99
5	A'	2618	2377	3.41
6	A'	1636	1486	2.93
7	A'	1610	1461	2.99
8	A'	1601	1454	3.92
9	A'	1575	1430	5.01
10	A'	1523	1383	65.93
11	A'	1496	1358	60.84
12	A'	1296	1176	249.76
13	A'	1251	1136	39.10
14	A'	1138	1033	18.33
15	A'	1023	928	21.62
16	A'	970	881	1.38
17	A'	609	553	1.83
18	A'	448	407	1.60
19	A'	328	298	2.68
20	A'	144	130	3.80
21	A"	3279	2978	35.81
22	A"	3221	2925	27.54
23	A"	3184	2891	60.31
24	A"	1578	1433	5.43
25	A"	1405	1276	4.25
26	A"	1366	1240	3.70
27	A"	1279	1162	8.29
28	A"	1123	1020	2.76
29	A"	881	800	0.13
30	A"	416	378	2.91
31	A"	275	250	0.67
32	A"	115	104	7.78
33	A"	76	69	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	-0.702	2.598	0.000
C2	-1.146	1.152	0.000
O3	0.000	0.338	0.000
C4	-0.274	-1.018	0.000
C5	0.998	-1.766	0.000
N6	1.958	-2.372	0.000
H7	-1.571	3.259	0.000
H8	-0.100	2.811	0.885
H9	-0.100	2.811	-0.885
H10	-1.755	0.933	-0.885
H11	-1.755	0.933	0.885
H12	-0.842	-1.320	-0.885
H13	-0.842	-1.320	0.885

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5123	2.3667	3.6409	4.6829	5.6369	1.0917	1.0907	1.0907	2.1592	2.1592	4.0191	4.0191
C2	1.5123		1.4056	2.3383	3.6206	4.6960	2.1489	2.1509	2.1509	1.0963	1.0963	2.6433	2.6433
O3	2.3667	1.4056		1.3830	2.3280	3.3431	3.3166	2.6287	2.6287	2.0537	2.0537	2.0591	2.0591
C4	3.6409	2.3383	1.3830		1.4760	2.6113	4.4686	3.9335	3.9335	2.6043	2.6043	1.0938	1.0938
C5	4.6829	3.6206	2.3280	1.4760		1.1356	5.6429	4.7889	4.7889	3.9557	3.9557	2.0899	2.0899
N6	5.6369	4.6960	3.3431	2.6113	1.1356		6.6451	5.6464	5.6464	5.0495	5.0495	3.1196	3.1196
H7	1.0917	2.1489	3.3166	4.4686	5.6429	6.6451		1.7735	1.7735	2.4945	2.4945	4.7200	4.7200
H8	1.0907	2.1509	2.6287	3.9335	4.7889	5.6464	1.7735		1.7692	3.0648	2.5026	4.5548	4.1971
H9	1.0907	2.1509	2.6287	3.9335	4.7889	5.6464	1.7735	1.7692		2.5026	3.0648	4.1971	4.5548
H10	2.1592	1.0963	2.0537	2.6043	3.9557	5.0495	2.4945	3.0648	2.5026		1.7692	2.4314	3.0071
H11	2.1592	1.0963	2.0537	2.6043	3.9557	5.0495	2.4945	2.5026	3.0648	1.7692		3.0071	2.4314
H12	4.0191	2.6433	2.0591	1.0938	2.0899	3.1196	4.7200	4.5548	4.1971	2.4314	3.0071		1.7696
H13	4.0191	2.6433	2.0591	1.0938	2.0899	3.1196	4.7200	4.1971	4.5548	3.0071	2.4314	1.7696

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.354	C1	C2	H10	110.723
C1	C2	H11	110.723	C2	C1	H7	110.183
C2	C1	H8	110.397	C2	C1	H9	110.397
C2	O3	C4	113.969	O3	C2	H10	109.725
O3	C2	H11	109.725	O3	C4	C5	108.991
O3	C4	H12	111.951	O3	C4	H13	111.951
C4	C5	N6	178.168	C5	C4	H12	107.906
C5	C4	H13	107.906	H7	C1	H8	108.710
H7	C1	H9	108.710	H8	C1	H9	108.391
H10	C2	H11	107.586	H12	C4	H13	107.978

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: HF/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/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)