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	hartrees
Energy at 0K	-51.769641
Energy at 298.15K	-51.777109
HF Energy	-51.220567
Nuclear repulsion energy	114.378013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3150	3043	48.75
2	A'	3049	2946	31.72
3	A'	3028	2926	58.96
4	A'	3014	2913	65.67
5	A'	2037	1968	16.81
6	A'	1545	1492	2.31
7	A'	1530	1478	0.02
8	A'	1527	1476	7.00
9	A'	1460	1411	11.40
10	A'	1437	1388	0.59
11	A'	1389	1342	60.08
12	A'	1147	1108	9.22
13	A'	1073	1037	117.92
14	A'	1005	971	28.96
15	A'	932	901	9.70
16	A'	851	822	10.21
17	A'	508	491	0.16
18	A'	397	384	1.70
19	A'	273	264	1.79
20	A'	120	116	1.96
21	A"	3169	3063	53.36
22	A"	3097	2993	26.28
23	A"	3081	2978	82.63
24	A"	1510	1459	6.41
25	A"	1291	1248	0.03
26	A"	1230	1188	0.71
27	A"	1177	1137	9.75
28	A"	1041	1006	3.21
29	A"	842	814	1.81
30	A"	319	308	0.02
31	A"	232	224	0.81
32	A"	98	95	12.11
33	A"	61	59	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.916	2.633	0.000
C2	-1.293	1.127	0.000
O3	0.000	0.368	0.000
C4	-0.223	-1.098	0.000
C5	1.134	-1.763	0.000
N6	2.228	-2.317	0.000
H7	-1.839	3.254	0.000
H8	-0.318	2.877	0.901
H9	-0.318	2.877	-0.901
H10	-1.876	0.846	-0.908
H11	-1.876	0.846	0.908
H12	-0.787	-1.409	-0.908
H13	-0.787	-1.409	0.908

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5530	2.4432	3.7955	4.8503	5.8640	1.1119	1.1085	1.1085	2.2223	2.2223	4.1449	4.1449
C2	1.5530		1.4988	2.4689	3.7729	4.9245	2.1964	2.1964	2.1964	1.1149	1.1149	2.7403	2.7403
O3	2.4432	1.4988		1.4835	2.4137	3.4888	3.4217	2.6842	2.6842	2.1385	2.1385	2.1454	2.1454
C4	3.7955	2.4689	1.4835		1.5103	2.7366	4.6427	4.0770	4.0770	2.7092	2.7092	1.1131	1.1131
C5	4.8503	3.7729	2.4137	1.5103		1.2264	5.8311	4.9440	4.9440	4.0854	4.0854	2.1536	2.1536
N6	5.8640	4.9245	3.4888	2.7366	1.2264		6.8970	5.8537	5.8537	5.2604	5.2604	3.2767	3.2767
H7	1.1119	2.1964	3.4217	4.6427	5.8311	6.8970		1.8071	1.8071	2.5735	2.5735	4.8656	4.8656
H8	1.1085	2.1964	2.6842	4.0770	4.9440	5.8537	1.8071		1.8022	3.1339	2.5592	4.6753	4.3112
H9	1.1085	2.1964	2.6842	4.0770	4.9440	5.8537	1.8071	1.8022		2.5592	3.1339	4.3112	4.6753
H10	2.2223	1.1149	2.1385	2.7092	4.0854	5.2604	2.5735	3.1339	2.5592		1.8153	2.5046	3.0934
H11	2.2223	1.1149	2.1385	2.7092	4.0854	5.2604	2.5735	2.5592	3.1339	1.8153		3.0934	2.5046
H12	4.1449	2.7403	2.1454	1.1131	2.1536	3.2767	4.8656	4.6753	4.3112	2.5046	3.0934		1.8157
H13	4.1449	2.7403	2.1454	1.1131	2.1536	3.2767	4.8656	4.3112	4.6753	3.0934	2.5046	1.8157

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.359	C1	C2	H10	111.767
C1	C2	H11	111.767	C2	C1	H7	109.911
C2	C1	H8	110.111	C2	C1	H9	110.111
C2	O3	C4	111.753	O3	C2	H10	108.923
O3	C2	H11	108.923	O3	C4	C5	107.452
O3	C4	H12	110.612	O3	C4	H13	110.612
C4	C5	N6	179.227	C5	C4	H12	109.423
C5	C4	H13	109.423	H7	C1	H8	108.955
H7	C1	H9	108.955	H8	C1	H9	108.766
H10	C2	H11	109.005	H12	C4	H13	109.287

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)