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	hartrees
Energy at 0K	-52.176048
Energy at 298.15K	-52.183733
HF Energy	-51.364846
Nuclear repulsion energy	116.857312

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3201	3039	28.39
2	A'	3102	2945	19.62
3	A'	3060	2906	55.47
4	A'	3052	2897	46.29
5	A'	2181	2071	7.44
6	A'	1551	1472	2.44
7	A'	1527	1449	0.73
8	A'	1525	1448	4.88
9	A'	1472	1397	10.30
10	A'	1430	1358	18.16
11	A'	1399	1328	63.16
12	A'	1169	1109	51.31
13	A'	1160	1101	148.89
14	A'	1065	1011	23.28
15	A'	960	911	10.70
16	A'	910	864	4.46
17	A'	532	505	0.18
18	A'	419	398	1.43
19	A'	291	277	1.62
20	A'	129	122	2.53
21	A"	3214	3051	29.45
22	A"	3121	2963	7.31
23	A"	3110	2952	75.39
24	A"	1511	1435	6.38
25	A"	1315	1248	1.17
26	A"	1273	1209	1.34
27	A"	1199	1139	8.12
28	A"	1041	989	2.62
29	A"	834	792	1.31
30	A"	339	322	0.39
31	A"	256	243	0.51
32	A"	115	109	7.77
33	A"	73	69	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	-1.043	2.531	0.000
C2	-1.292	1.018	0.000
O3	0.000	0.374	0.000
C4	-0.162	-1.041	0.000
C5	1.195	-1.667	0.000
N6	2.272	-2.198	0.000
H7	-2.008	3.069	0.000
H8	-0.471	2.821	0.897
H9	-0.471	2.821	-0.897
H10	-1.862	0.706	-0.900
H11	-1.862	0.706	0.900
H12	-0.707	-1.389	-0.901
H13	-0.707	-1.389	0.901

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5331	2.3956	3.6786	4.7578	5.7751	1.1046	1.1026	1.1026	2.1934	2.1934	4.0364	4.0364
C2	1.5331		1.4438	2.3485	3.6607	4.8007	2.1721	2.1742	2.1742	1.1101	1.1101	2.6364	2.6364
O3	2.3956	1.4438		1.4243	2.3660	3.4320	3.3604	2.6475	2.6475	2.0946	2.0946	2.1028	2.1028
C4	3.6786	2.3485	1.4243		1.4954	2.6952	4.5050	3.9759	3.9759	2.5981	2.5981	1.1090	1.1090
C5	4.7578	3.6607	2.3660	1.4954		1.2000	5.7179	4.8705	4.8705	3.9739	3.9739	2.1232	2.1232
N6	5.7751	4.8007	3.4320	2.6952	1.2000		6.7866	5.7890	5.7890	5.1315	5.1315	3.2152	3.2152
H7	1.1046	2.1721	3.3604	4.5050	5.7179	6.7866		1.7967	1.7967	2.5328	2.5328	4.7308	4.7308
H8	1.1026	2.1742	2.6475	3.9759	4.8705	5.7890	1.7967		1.7938	3.1041	2.5310	4.5836	4.2163
H9	1.1026	2.1742	2.6475	3.9759	4.8705	5.7890	1.7967	1.7938		2.5310	3.1041	4.2163	4.5836
H10	2.1934	1.1101	2.0946	2.5981	3.9739	5.1315	2.5328	3.1041	2.5310		1.8002	2.3927	2.9949
H11	2.1934	1.1101	2.0946	2.5981	3.9739	5.1315	2.5328	2.5310	3.1041	1.8002		2.9949	2.3927
H12	4.0364	2.6364	2.1028	1.1090	2.1232	3.2152	4.7308	4.5836	4.2163	2.3927	2.9949		1.8023
H13	4.0364	2.6364	2.1028	1.1090	2.1232	3.2152	4.7308	4.2163	4.5836	2.9949	2.3927	1.8023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.129	C1	C2	H10	111.153
C1	C2	H11	111.153	C2	C1	H7	109.801
C2	C1	H8	110.087	C2	C1	H9	110.087
C2	O3	C4	109.938	O3	C2	H10	109.514
O3	C2	H11	109.514	O3	C4	C5	108.232
O3	C4	H12	111.604	O3	C4	H13	111.604
C4	C5	N6	178.522	C5	C4	H12	108.301
C5	C4	H13	108.301	H7	C1	H8	108.985
H7	C1	H9	108.985	H8	C1	H9	108.866
H10	C2	H11	108.358	H12	C4	H13	108.691

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: MP2/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: MP2/CEP-31G*

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)