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	hartrees
Energy at 0K	-285.331183
Energy at 298.15K	-285.338778
HF Energy	-284.692794
Nuclear repulsion energy	212.040081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3111	2985	24.95
2	A'	3034	2912	15.76
3	A'	2993	2872	30.79
4	A'	2985	2864	26.65
5	A'	2300	2207	2.09
6	A'	1581	1517	2.24
7	A'	1562	1498	1.51
8	A'	1553	1490	6.80
9	A'	1480	1420	11.23
10	A'	1464	1405	0.54
11	A'	1407	1350	53.37
12	A'	1167	1120	16.02
13	A'	1111	1066	119.15
14	A'	1031	990	13.96
15	A'	958	919	12.20
16	A'	883	847	9.33
17	A'	526	505	0.45
18	A'	416	400	1.30
19	A'	278	267	1.87
20	A'	122	117	2.63
21	A"	3126	3000	26.51
22	A"	3026	2903	17.16
23	A"	3022	2899	57.73
24	A"	1540	1477	5.47
25	A"	1318	1264	0.30
26	A"	1255	1204	2.47
27	A"	1204	1155	8.71
28	A"	1057	1014	2.64
29	A"	853	819	0.59
30	A"	315	302	0.74
31	A"	245	235	0.80
32	A"	100	96	10.63
33	A"	70	67	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.837	2.612	0.000
C2	-1.246	1.137	0.000
O3	0.000	0.352	0.000
C4	-0.236	-1.088	0.000
C5	1.085	-1.758	0.000
N6	2.130	-2.306	0.000
H7	-1.731	3.257	0.000
H8	-0.236	2.838	0.893
H9	-0.236	2.838	-0.893
H10	-1.842	0.881	-0.897
H11	-1.842	0.881	0.897
H12	-0.810	-1.392	-0.895
H13	-0.810	-1.392	0.895

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5309	2.4104	3.7489	4.7748	5.7443	1.1025	1.1002	1.1002	2.1929	2.1929	4.1035	4.1035
C2	1.5309		1.4723	2.4435	3.7167	4.8218	2.1753	2.1707	2.1707	1.1066	1.1066	2.7182	2.7182
O3	2.4104	1.4723		1.4592	2.3730	3.4063	3.3820	2.6521	2.6521	2.1158	2.1158	2.1212	2.1212
C4	3.7489	2.4435	1.4592		1.4808	2.6608	4.5955	4.0265	4.0265	2.6949	2.6949	1.1061	1.1061
C5	4.7748	3.7167	2.3730	1.4808		1.1800	5.7523	4.8652	4.8652	4.0420	4.0420	2.1270	2.1270
N6	5.7443	4.8218	3.4063	2.6608	1.1800		6.7722	5.7323	5.7323	5.1711	5.1711	3.2059	3.2059
H7	1.1025	2.1753	3.3820	4.5955	5.7523	6.7722		1.7918	1.7918	2.5417	2.5417	4.8238	4.8238
H8	1.1002	2.1707	2.6521	4.0265	4.8652	5.7323	1.7918		1.7860	3.1002	2.5315	4.6286	4.2692
H9	1.1002	2.1707	2.6521	4.0265	4.8652	5.7323	1.7918	1.7860		2.5315	3.1002	4.2692	4.6286
H10	2.1929	1.1066	2.1158	2.6949	4.0420	5.1711	2.5417	3.1002	2.5315		1.7933	2.4971	3.0734
H11	2.1929	1.1066	2.1158	2.6949	4.0420	5.1711	2.5417	2.5315	3.1002	1.7933		3.0734	2.4971
H12	4.1035	2.7182	2.1212	1.1061	2.1270	3.2059	4.8238	4.6286	4.2692	2.4971	3.0734		1.7904
H13	4.1035	2.7182	2.1212	1.1061	2.1270	3.2059	4.8238	4.2692	4.6286	3.0734	2.4971	1.7904

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.744	C1	C2	H10	111.479
C1	C2	H11	111.479	C2	C1	H7	110.331
C2	C1	H8	110.103	C2	C1	H9	110.103
C2	O3	C4	112.921	O3	C2	H10	109.436
O3	C2	H11	109.436	O3	C4	C5	107.627
O3	C4	H12	110.811	O3	C4	H13	110.811
C4	C5	N6	179.261	C5	C4	H12	109.765
C5	C4	H13	109.765	H7	C1	H8	108.871
H7	C1	H9	108.871	H8	C1	H9	108.520
H10	C2	H11	108.239	H12	C4	H13	108.061

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)