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	hartrees
Energy at 0K	-285.771083
Energy at 298.15K	-285.778914
HF Energy	-284.841145
Nuclear repulsion energy	215.987056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3220	3019	21.80
2	A'	3132	2936	13.20
3	A'	3078	2886	41.80
4	A'	3066	2875	27.01
5	A'	2394	2245	2.22
6	A'	1596	1497	1.76
7	A'	1569	1471	2.52
8	A'	1562	1465	3.22
9	A'	1507	1413	9.53
10	A'	1466	1375	16.45
11	A'	1432	1343	79.26
12	A'	1216	1140	170.34
13	A'	1191	1117	19.46
14	A'	1091	1023	16.64
15	A'	983	922	12.18
16	A'	933	875	4.19
17	A'	559	524	1.03
18	A'	432	405	0.98
19	A'	303	284	2.26
20	A'	134	126	3.33
21	A"	3229	3028	22.05
22	A"	3117	2923	15.27
23	A"	3108	2914	61.79
24	A"	1547	1450	4.02
25	A"	1340	1256	2.28
26	A"	1295	1215	3.36
27	A"	1229	1153	6.95
28	A"	1070	1003	2.44
29	A"	848	795	0.12
30	A"	361	338	2.14
31	A"	263	247	0.48
32	A"	110	103	6.83
33	A"	74	69	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	-0.927	2.542	0.000
C2	-1.239	1.060	0.000
O3	0.000	0.358	0.000
C4	-0.194	-1.036	0.000
C5	1.128	-1.690	0.000
N6	2.154	-2.239	0.000
H7	-1.850	3.121	0.000
H8	-0.348	2.803	0.884
H9	-0.348	2.803	-0.884
H10	-1.824	0.783	-0.885
H11	-1.824	0.783	0.885
H12	-0.748	-1.369	-0.885
H13	-0.748	-1.369	0.885

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5140	2.3727	3.6526	4.7048	5.6874	1.0897	1.0884	1.0884	2.1638	2.1638	4.0137	4.0137
C2	1.5140		1.4243	2.3428	3.6291	4.7326	2.1495	2.1478	2.1478	1.0968	1.0968	2.6318	2.6318
O3	2.3727	1.4243		1.4075	2.3383	3.3737	3.3255	2.6238	2.6238	2.0719	2.0719	2.0797	2.0797
C4	3.6526	2.3428	1.4075		1.4750	2.6381	4.4753	3.9433	3.9433	2.5986	2.5986	1.0962	1.0962
C5	4.7048	3.6291	2.3383	1.4750		1.1634	5.6587	4.8121	4.8121	3.9522	3.9522	2.0996	2.0996
N6	5.6874	4.7326	3.3737	2.6381	1.1634		6.6904	5.6979	5.6979	5.0739	5.0739	3.1568	3.1568
H7	1.0897	2.1495	3.3255	4.4753	5.6587	6.6904		1.7712	1.7712	2.5001	2.5001	4.7073	4.7073
H8	1.0884	2.1478	2.6238	3.9433	4.8121	5.6979	1.7712		1.7678	3.0644	2.5023	4.5497	4.1916
H9	1.0884	2.1478	2.6238	3.9433	4.8121	5.6979	1.7712	1.7678		2.5023	3.0644	4.1916	4.5497
H10	2.1638	1.0968	2.0719	2.5986	3.9522	5.0739	2.5001	3.0644	2.5023		1.7701	2.4061	2.9872
H11	2.1638	1.0968	2.0719	2.5986	3.9522	5.0739	2.5001	2.5023	3.0644	1.7701		2.9872	2.4061
H12	4.0137	2.6318	2.0797	1.0962	2.0996	3.1568	4.7073	4.5497	4.1916	2.4061	2.9872		1.7705
H13	4.0137	2.6318	2.0797	1.0962	2.0996	3.1568	4.7073	4.1916	4.5497	2.9872	2.4061	1.7705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.667	C1	C2	H10	110.940
C1	C2	H11	110.940	C2	C1	H7	110.224
C2	C1	H8	110.170	C2	C1	H9	110.170
C2	O3	C4	111.643	O3	C2	H10	109.855
O3	C2	H11	109.855	O3	C4	C5	108.403
O3	C4	H12	111.726	O3	C4	H13	111.726
C4	C5	N6	178.207	C5	C4	H12	108.592
C5	C4	H13	108.592	H7	C1	H8	108.816
H7	C1	H9	108.816	H8	C1	H9	108.603
H10	C2	H11	107.589	H12	C4	H13	107.716

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: CCD/6-31G**

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: CCD/6-31G**

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)