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	hartrees
Energy at 0K	-282.578689
Energy at 298.15K	-282.585931
HF Energy	-282.578689
Nuclear repulsion energy	209.493056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3425	3129	0.27
2	A'	3257	2976	0.27
3	A'	3158	2885	16.79
4	A'	3119	2850	14.62
5	A'	2289	2092	21.76
6	A'	1648	1506	2.78
7	A'	1627	1487	5.37
8	A'	1590	1453	3.12
9	A'	1523	1392	3.53
10	A'	1459	1333	11.53
11	A'	1378	1259	55.23
12	A'	1203	1099	15.11
13	A'	1130	1032	28.08
14	A'	1061	970	5.39
15	A'	963	879	1.46
16	A'	924	844	0.90
17	A'	533	487	0.08
18	A'	420	384	0.57
19	A'	292	267	0.96
20	A'	126	115	1.62
21	A"	3428	3132	0.58
22	A"	3252	2971	15.42
23	A"	3197	2921	6.90
24	A"	1628	1487	4.00
25	A"	1328	1214	0.02
26	A"	1228	1122	1.21
27	A"	1185	1083	7.06
28	A"	1022	933	0.06
29	A"	858	784	2.40
30	A"	356	325	0.34
31	A"	199	182	0.08
32	A"	125	114	3.59
33	A"	81	74	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	-1.502	2.360	0.000
C2	-1.438	0.808	0.000
O3	0.000	0.429	0.000
C4	0.018	-1.055	0.000
C5	1.456	-1.506	0.000
N6	2.609	-1.874	0.000
H7	-2.557	2.691	0.000
H8	-1.002	2.767	0.898
H9	-1.002	2.767	-0.898
H10	-1.961	0.398	-0.904
H11	-1.961	0.398	0.904
H12	-0.494	-1.488	-0.906
H13	-0.494	-1.488	0.906

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5538	2.4461	3.7386	4.8681	5.9015	1.1061	1.1057	1.1057	2.2089	2.2089	4.0800	4.0800
C2	1.5538		1.4871	2.3648	3.7056	4.8551	2.1904	2.1991	2.1991	1.1219	1.1219	2.6426	2.6426
O3	2.4461	1.4871		1.4849	2.4222	3.4804	3.4137	2.6973	2.6973	2.1598	2.1598	2.1774	2.1774
C4	3.7386	2.3648	1.4849		1.5070	2.7172	4.5460	4.0569	4.0569	2.6167	2.6167	1.1270	1.1270
C5	4.8681	3.7056	2.4222	1.5070		1.2102	5.8070	5.0109	5.0109	4.0152	4.0152	2.1504	2.1504
N6	5.9015	4.8551	3.4804	2.7172	1.2102		6.8941	5.9484	5.9484	5.1834	5.1834	3.2556	3.2556
H7	1.1061	2.1904	3.4137	4.5460	5.8070	6.8941		1.7980	1.7980	2.5355	2.5355	4.7476	4.7476
H8	1.1057	2.1991	2.6973	4.0569	5.0109	5.9484	1.7980		1.7969	3.1276	2.5561	4.6496	4.2852
H9	1.1057	2.1991	2.6973	4.0569	5.0109	5.9484	1.7980	1.7969		2.5561	3.1276	4.2852	4.6496
H10	2.2089	1.1219	2.1598	2.6167	4.0152	5.1834	2.5355	3.1276	2.5561		1.8075	2.3896	2.9975
H11	2.2089	1.1219	2.1598	2.6167	4.0152	5.1834	2.5355	2.5561	3.1276	1.8075		2.9975	2.3896
H12	4.0800	2.6426	2.1774	1.1270	2.1504	3.2556	4.7476	4.6496	4.2852	2.3896	2.9975		1.8120
H13	4.0800	2.6426	2.1774	1.1270	2.1504	3.2556	4.7476	4.2852	4.6496	2.9975	2.3896	1.8120

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.088	C1	C2	H10	110.245
C1	C2	H11	110.245	C2	C1	H7	109.722
C2	C1	H8	110.426	C2	C1	H9	110.426
C2	O3	C4	105.443	O3	C2	H10	110.984
O3	C2	H11	110.984	O3	C4	C5	108.106
O3	C4	H12	112.228	O3	C4	H13	112.228
C4	C5	N6	179.716	C5	C4	H12	108.586
C5	C4	H13	108.586	H7	C1	H8	108.763
H7	C1	H9	108.763	H8	C1	H9	108.699
H10	C2	H11	107.323	H12	C4	H13	107.001

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: PBEPBE/STO-3G

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: PBEPBE/STO-3G

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)