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	hartrees
Energy at 0K	-286.416450
Energy at 298.15K	-286.408391
HF Energy	-286.598985
Nuclear repulsion energy	216.064154

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3125	3015	19.23
2	A'	3049	2943	12.82
3	A'	2968	2864	60.78
4	A'	2959	2856	15.34
5	A'	2374	2291	0.43
6	A'	1531	1477	4.27
7	A'	1500	1448	0.09
8	A'	1495	1443	7.19
9	A'	1449	1398	8.55
10	A'	1407	1358	9.49
11	A'	1381	1333	62.66
12	A'	1161	1121	190.75
13	A'	1144	1104	39.46
14	A'	1045	1008	14.90
15	A'	953	920	7.40
16	A'	899	867	4.90
17	A'	560	540	1.40
18	A'	421	406	0.99
19	A'	303	293	2.47
20	A'	134	129	3.36
21	A"	3129	3019	20.82
22	A"	2992	2888	18.37
23	A"	2985	2881	57.73
24	A"	1482	1431	4.65
25	A"	1300	1254	2.61
26	A"	1255	1211	3.87
27	A"	1188	1147	6.00
28	A"	1035	999	0.90
29	A"	824	795	0.58
30	A"	387	374	2.14
31	A"	239	231	0.27
32	A"	114	110	5.70
33	A"	78	75	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.918	2.553	0.000
C2	-1.229	1.068	0.000
O3	0.000	0.355	0.000
C4	-0.186	-1.035	0.000
C5	1.121	-1.700	0.000
N6	2.134	-2.254	0.000
H7	-1.846	3.132	0.000
H8	-0.339	2.823	0.887
H9	-0.339	2.823	-0.887
H10	-1.823	0.791	-0.887
H11	-1.823	0.791	0.887
H12	-0.749	-1.372	-0.886
H13	-0.749	-1.372	0.886

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5176	2.3819	3.6617	4.7167	5.6943	1.0938	1.0932	1.0932	2.1700	2.1700	4.0279	4.0279
C2	1.5176		1.4208	2.3471	3.6310	4.7271	2.1549	2.1589	2.1589	1.1026	1.1026	2.6402	2.6402
O3	2.3819	1.4208		1.4022	2.3411	3.3709	3.3347	2.6440	2.6440	2.0735	2.0735	2.0813	2.0813
C4	3.6617	2.3471	1.4022		1.4665	2.6207	4.4856	3.9612	3.9612	2.6078	2.6078	1.1032	1.1032
C5	4.7167	3.6310	2.3411	1.4665		1.1544	5.6707	4.8347	4.8347	3.9572	3.9572	2.0954	2.0954
N6	5.6943	4.7271	3.3709	2.6207	1.1544		6.6974	5.7164	5.7164	5.0711	5.0711	3.1423	3.1423
H7	1.0938	2.1549	3.3347	4.4856	5.6707	6.6974		1.7762	1.7762	2.5037	2.5037	4.7205	4.7205
H8	1.0932	2.1589	2.6440	3.9612	4.8347	5.7164	1.7762		1.7732	3.0786	2.5161	4.5732	4.2156
H9	1.0932	2.1589	2.6440	3.9612	4.8347	5.7164	1.7762	1.7732		2.5161	3.0786	4.2156	4.5732
H10	2.1700	1.1026	2.0735	2.6078	3.9572	5.0711	2.5037	3.0786	2.5161		1.7748	2.4154	2.9967
H11	2.1700	1.1026	2.0735	2.6078	3.9572	5.0711	2.5037	2.5161	3.0786	1.7748		2.9967	2.4154
H12	4.0279	2.6402	2.0813	1.1032	2.0954	3.1423	4.7205	4.5732	4.2156	2.4154	2.9967		1.7726
H13	4.0279	2.6402	2.0813	1.1032	2.0954	3.1423	4.7205	4.2156	4.5732	2.9967	2.4154	1.7726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.277	C1	C2	H10	110.609
C1	C2	H11	110.609	C2	C1	H7	110.236
C2	C1	H8	110.443	C2	C1	H9	110.443
C2	O3	C4	113.099	O3	C2	H10	110.071
O3	C2	H11	110.071	O3	C4	C5	109.359
O3	C4	H12	112.085	O3	C4	H13	112.085
C4	C5	N6	178.615	C5	C4	H12	108.028
C5	C4	H13	108.028	H7	C1	H8	108.635
H7	C1	H9	108.635	H8	C1	H9	108.391
H10	C2	H11	107.208	H12	C4	H13	107.088

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: G4

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: G4

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)