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	hartrees
Energy at 0K	-283.908413
Energy at 298.15K	-283.916166
HF Energy	-283.239282
Nuclear repulsion energy	211.932271

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3120	3054
2	A'	3048	2984
3	A'	2984	2920
4	A'	2981	2918
5	A'	2171	2125
6	A'	1604	1570
7	A'	1583	1549
8	A'	1579	1545
9	A'	1474	1443
10	A'	1462	1431
11	A'	1393	1364
12	A'	1155	1131
13	A'	1074	1051
14	A'	985	964
15	A'	924	905
16	A'	864	845
17	A'	557	545
18	A'	406	397
19	A'	297	291
20	A'	129	126
21	A"	3131	3065
22	A"	3015	2951
23	A"	3008	2945
24	A"	1564	1531
25	A"	1328	1299
26	A"	1270	1244
27	A"	1203	1177
28	A"	1069	1047
29	A"	864	846
30	A"	419	410
31	A"	242	236
32	A"	105	103
33	A"	73	71

Atom	x (Å)	y (Å)	z (Å)
C1	-0.996	2.551	0.000
C2	-1.316	1.045	0.000
O3	0.000	0.363	0.000
C4	-0.177	-1.098	0.000
C5	1.178	-1.691	0.000
N6	2.265	-2.160	0.000
H7	-1.923	3.141	0.000
H8	-0.407	2.799	0.891
H9	-0.407	2.799	-0.891
H10	-1.896	0.760	-0.895
H11	-1.896	0.760	0.895
H12	-0.729	-1.440	-0.894
H13	-0.729	-1.440	0.894

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5396	2.4048	3.7406	4.7676	5.7304	1.0986	1.0968	1.0968	2.1950	2.1950	4.0989	4.0989
C2	1.5396		1.4822	2.4273	3.7026	4.8060	2.1823	2.1666	2.1666	1.1040	1.1040	2.7054	2.7054
O3	2.4048	1.4822		1.4719	2.3680	3.3906	3.3792	2.6256	2.6256	2.1338	2.1338	2.1402	2.1402
C4	3.7406	2.4273	1.4719		1.4794	2.6630	4.5852	4.0043	4.0043	2.6850	2.6850	1.1047	1.1047
C5	4.7676	3.7026	2.3680	1.4794		1.1836	5.7423	4.8444	4.8444	4.0325	4.0325	2.1215	2.1215
N6	5.7304	4.8060	3.3906	2.6630	1.1836		6.7564	5.7032	5.7032	5.1616	5.1616	3.2068	3.2068
H7	1.0986	2.1823	3.3792	4.5852	5.7423	6.7564		1.7917	1.7917	2.5440	2.5440	4.8180	4.8180
H8	1.0968	2.1666	2.6256	4.0043	4.8444	5.7032	1.7917		1.7829	3.0923	2.5240	4.6105	4.2508
H9	1.0968	2.1666	2.6256	4.0043	4.8444	5.7032	1.7917	1.7829		2.5240	3.0923	4.2508	4.6105
H10	2.1950	1.1040	2.1338	2.6850	4.0325	5.1616	2.5440	3.0923	2.5240		1.7903	2.4903	3.0662
H11	2.1950	1.1040	2.1338	2.6850	4.0325	5.1616	2.5440	2.5240	3.0923	1.7903		3.0662	2.4903
H12	4.0989	2.7054	2.1402	1.1047	2.1215	3.2068	4.8180	4.6105	4.2508	2.4903	3.0662		1.7874
H13	4.0989	2.7054	2.1402	1.1047	2.1215	3.2068	4.8180	4.2508	4.6105	3.0662	2.4903	1.7874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.449	C1	C2	H10	111.192
C1	C2	H11	111.192	C2	C1	H7	110.513
C2	C1	H8	109.385	C2	C1	H9	109.385
C2	O3	C4	110.506	O3	C2	H10	110.329
O3	C2	H11	110.329	O3	C4	C5	106.716
O3	C4	H12	111.538	O3	C4	H13	111.538
C4	C5	N6	179.715	C5	C4	H12	109.514
C5	C4	H13	109.514	H7	C1	H8	109.397
H7	C1	H9	109.397	H8	C1	H9	108.736
H10	C2	H11	108.349	H12	C4	H13	108.002

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: MP4=FULL/3-21G

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: MP4=FULL/3-21G

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)