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	hartrees
Energy at 0K	-52.247417
Energy at 298.15K	-52.255103
HF Energy	-51.384140
Nuclear repulsion energy	117.467735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3030	23.00
2	A'	3080	2935	16.01
3	A'	3040	2896	46.93
4	A'	3028	2885	40.51
5	A'	2152	2050	10.02
6	A'	1564	1490	2.23
7	A'	1541	1468	1.88
8	A'	1536	1463	5.69
9	A'	1469	1400	12.33
10	A'	1435	1367	11.65
11	A'	1400	1334	63.01
12	A'	1166	1111	84.02
13	A'	1157	1102	122.44
14	A'	1057	1008	22.44
15	A'	952	907	12.79
16	A'	904	861	4.96
17	A'	536	510	0.24
18	A'	420	400	1.14
19	A'	291	277	1.42
20	A'	129	123	2.88
21	A"	3193	3042	24.15
22	A"	3094	2948	10.08
23	A"	3083	2937	66.42
24	A"	1521	1449	7.11
25	A"	1307	1245	2.04
26	A"	1261	1201	2.70
27	A"	1201	1145	6.73
28	A"	1047	997	2.89
29	A"	831	792	0.22
30	A"	332	316	0.59
31	A"	259	246	0.41
32	A"	111	105	6.93
33	A"	67	64	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	-1.032	2.523	0.000
C2	-1.286	1.020	0.000
O3	0.000	0.369	0.000
C4	-0.161	-1.045	0.000
C5	1.189	-1.662	0.000
N6	2.252	-2.185	0.000
H7	-1.985	3.062	0.000
H8	-0.463	2.809	0.889
H9	-0.463	2.809	-0.889
H10	-1.853	0.714	-0.894
H11	-1.853	0.714	0.894
H12	-0.703	-1.390	-0.894
H13	-0.703	-1.390	0.894

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5246	2.3882	3.6729	4.7380	5.7407	1.0950	1.0931	1.0931	2.1787	2.1787	4.0273	4.0273
C2	1.5246		1.4415	2.3517	3.6497	4.7746	2.1582	2.1602	2.1602	1.1015	1.1015	2.6356	2.6356
O3	2.3882	1.4415		1.4235	2.3539	3.4059	3.3452	2.6371	2.6371	2.0856	2.0856	2.0949	2.0949
C4	3.6729	2.3517	1.4235		1.4842	2.6693	4.4938	3.9663	3.9663	2.5987	2.5987	1.1009	1.1009
C5	4.7380	3.6497	2.3539	1.4842		1.1854	5.6913	4.8484	4.8484	3.9616	3.9616	2.1102	2.1102
N6	5.7407	4.7746	3.4059	2.6693	1.1854		6.7446	5.7536	5.7536	5.1044	5.1044	3.1887	3.1887
H7	1.0950	2.1582	3.3452	4.4938	5.6913	6.7446		1.7806	1.7806	2.5160	2.5160	4.7181	4.7181
H8	1.0931	2.1602	2.6371	3.9663	4.8484	5.7536	1.7806		1.7781	3.0817	2.5137	4.5675	4.2052
H9	1.0931	2.1602	2.6371	3.9663	4.8484	5.7536	1.7806	1.7781		2.5137	3.0817	4.2052	4.5675
H10	2.1787	1.1015	2.0856	2.5987	3.9616	5.1044	2.5160	3.0817	2.5137		1.7872	2.3971	2.9902
H11	2.1787	1.1015	2.0856	2.5987	3.9616	5.1044	2.5160	2.5137	3.0817	1.7872		2.9902	2.3971
H12	4.0273	2.6356	2.0949	1.1009	2.1102	3.1887	4.7181	4.5675	4.2052	2.3971	2.9902		1.7878
H13	4.0273	2.6356	2.0949	1.1009	2.1102	3.1887	4.7181	4.2052	4.5675	2.9902	2.3971	1.7878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.220	C1	C2	H10	111.104
C1	C2	H11	111.104	C2	C1	H7	109.860
C2	C1	H8	110.129	C2	C1	H9	110.129
C2	O3	C4	110.335	O3	C2	H10	109.473
O3	C2	H11	109.473	O3	C4	C5	108.078
O3	C4	H12	111.527	O3	C4	H13	111.527
C4	C5	N6	178.391	C5	C4	H12	108.522
C5	C4	H13	108.522	H7	C1	H8	108.926
H7	C1	H9	108.926	H8	C1	H9	108.839
H10	C2	H11	108.445	H12	C4	H13	108.576

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: MP2/CEP-121G*

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: MP2/CEP-121G*

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)