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	hartrees
Energy at 0K	-51.236694
Energy at 298.15K	-51.244645
HF Energy	-51.236694
Nuclear repulsion energy	117.289235

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3309	2982	75.86
2	A'	3240	2921	55.93
3	A'	3228	2910	50.86
4	A'	3205	2889	69.40
5	A'	2528	2279	4.00
6	A'	1668	1503	5.08
7	A'	1649	1487	1.38
8	A'	1636	1475	6.45
9	A'	1584	1428	4.32
10	A'	1557	1404	17.87
11	A'	1517	1367	79.40
12	A'	1247	1124	136.15
13	A'	1239	1117	111.01
14	A'	1117	1007	16.95
15	A'	1027	926	34.28
16	A'	959	864	7.45
17	A'	590	532	0.54
18	A'	432	389	2.93
19	A'	315	284	2.26
20	A'	137	123	2.92
21	A"	3328	3000	87.39
22	A"	3295	2970	43.43
23	A"	3256	2935	71.76
24	A"	1618	1459	6.60
25	A"	1405	1267	2.30
26	A"	1367	1233	1.23
27	A"	1285	1158	13.98
28	A"	1134	1022	4.93
29	A"	897	809	0.95
30	A"	407	367	0.78
31	A"	249	225	1.35
32	A"	108	97	15.26
33	A"	68	61	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.507	2.678	0.000
C2	-1.106	1.270	0.000
O3	0.000	0.333	0.000
C4	-0.362	-1.047	0.000
C5	0.888	-1.858	0.000
N6	1.846	-2.512	0.000
H7	-1.301	3.426	0.000
H8	0.112	2.823	0.882
H9	0.112	2.823	-0.882
H10	-1.720	1.100	-0.886
H11	-1.720	1.100	0.886
H12	-0.942	-1.302	-0.886
H13	-0.942	-1.302	0.886

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5301	2.3996	3.7284	4.7462	5.6991	1.0906	1.0879	1.0879	2.1790	2.1790	4.1008	4.1008
C2	1.5301		1.4494	2.4338	3.7094	4.7977	2.1651	2.1621	2.1621	1.0917	1.0917	2.7253	2.7253
O3	2.3996	1.4494		1.4268	2.3642	3.3916	3.3558	2.6443	2.6443	2.0812	2.0812	2.0846	2.0846
C4	3.7284	2.4338	1.4268		1.4895	2.6495	4.5711	3.9979	3.9979	2.6907	2.6907	1.0893	1.0893
C5	4.7462	3.7094	2.3642	1.4895		1.1602	5.7198	4.8265	4.8265	4.0416	4.0416	2.1076	2.1076
N6	5.6991	4.7977	3.3916	2.6495	1.1602		6.7209	5.6790	5.6790	5.1524	5.1524	3.1659	3.1659
H7	1.0906	2.1651	3.3558	4.5711	5.7198	6.7209		1.7720	1.7720	2.5247	2.5247	4.8240	4.8240
H8	1.0879	2.1621	2.6443	3.9979	4.8265	5.6790	1.7720		1.7645	3.0751	2.5156	4.6104	4.2579
H9	1.0879	2.1621	2.6443	3.9979	4.8265	5.6790	1.7720	1.7645		2.5156	3.0751	4.2579	4.6104
H10	2.1790	1.0917	2.0812	2.6907	4.0416	5.1524	2.5247	3.0751	2.5156		1.7726	2.5245	3.0844
H11	2.1790	1.0917	2.0812	2.6907	4.0416	5.1524	2.5247	2.5156	3.0751	1.7726		3.0844	2.5245
H12	4.1008	2.7253	2.0846	1.0893	2.1076	3.1659	4.8240	4.6104	4.2579	2.5245	3.0844		1.7717
H13	4.1008	2.7253	2.0846	1.0893	2.1076	3.1659	4.8240	4.2579	4.6104	3.0844	2.5245	1.7717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.261	C1	C2	H10	111.327
C1	C2	H11	111.327	C2	C1	H7	110.284
C2	C1	H8	110.204	C2	C1	H9	110.204
C2	O3	C4	115.598	O3	C2	H10	109.167
O3	C2	H11	109.167	O3	C4	C5	108.307
O3	C4	H12	111.180	O3	C4	H13	111.180
C4	C5	N6	178.678	C5	C4	H12	108.638
C5	C4	H13	108.638	H7	C1	H8	108.861
H7	C1	H9	108.861	H8	C1	H9	108.381
H10	C2	H11	108.549	H12	C4	H13	108.829

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: HF/CEP-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: HF/CEP-31G

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)