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	hartrees
Energy at 0K	-286.116676
Energy at 298.15K	-286.124539
HF Energy	-284.933514
Nuclear repulsion energy	217.283125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3026	13.14
2	A'	3109	2951	10.51
3	A'	3047	2893	48.19
4	A'	3043	2889	19.80
5	A'	2234	2121	5.70
6	A'	1556	1477	3.79
7	A'	1529	1452	0.69
8	A'	1525	1448	5.12
9	A'	1466	1392	9.33
10	A'	1421	1349	18.65
11	A'	1395	1325	42.70
12	A'	1190	1129	193.78
13	A'	1168	1109	16.24
14	A'	1081	1026	19.46
15	A'	973	924	5.66
16	A'	919	873	6.10
17	A'	556	528	0.92
18	A'	427	405	0.81
19	A'	300	285	2.04
20	A'	133	126	3.23
21	A"	3192	3031	14.01
22	A"	3077	2922	0.68
23	A"	3070	2915	53.20
24	A"	1513	1436	6.92
25	A"	1323	1256	2.60
26	A"	1283	1218	3.59
27	A"	1204	1143	5.98
28	A"	1046	993	1.50
29	A"	836	794	0.52
30	A"	365	347	1.27
31	A"	272	258	0.37
32	A"	116	110	5.79
33	A"	82	78	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-1.064	2.475	0.000
C2	-1.274	0.988	0.000
O3	0.000	0.368	0.000
C4	-0.132	-1.026	0.000
C5	1.195	-1.626	0.000
N6	2.243	-2.135	0.000
H7	-2.020	2.988	0.000
H8	-0.507	2.775	0.880
H9	-0.507	2.775	-0.880
H10	-1.835	0.674	-0.882
H11	-1.835	0.674	0.882
H12	-0.673	-1.376	-0.882
H13	-0.673	-1.376	0.882

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5022	2.3602	3.6229	4.6821	5.6739	1.0848	1.0838	1.0838	2.1491	2.1491	3.9703	3.9703
C2	1.5022		1.4167	2.3148	3.5954	4.7037	2.1351	2.1344	2.1344	1.0917	1.0917	2.5937	2.5937
O3	2.3602	1.4167		1.4004	2.3249	3.3616	3.3082	2.6117	2.6117	2.0589	2.0589	2.0672	2.0672
C4	3.6229	2.3148	1.4004		1.4563	2.6217	4.4358	3.9189	3.9189	2.5625	2.5625	1.0921	1.0921
C5	4.6821	3.5954	2.3249	1.4563		1.1657	5.6237	4.7995	4.7995	3.9047	3.9047	2.0802	2.0802
N6	5.6739	4.7037	3.3616	2.6217	1.1657		6.6652	5.6959	5.6959	5.0300	5.0300	3.1396	3.1396
H7	1.0848	2.1351	3.3082	4.4358	5.6237	6.6652		1.7633	1.7633	2.4841	2.4841	4.6520	4.6520
H8	1.0838	2.1344	2.6117	3.9189	4.7995	5.6959	1.7633		1.7602	3.0469	2.4856	4.5122	4.1539
H9	1.0838	2.1344	2.6117	3.9189	4.7995	5.6959	1.7633	1.7602		2.4856	3.0469	4.1539	4.5122
H10	2.1491	1.0917	2.0589	2.5625	3.9047	5.0300	2.4841	3.0469	2.4856		1.7644	2.3564	2.9435
H11	2.1491	1.0917	2.0589	2.5625	3.9047	5.0300	2.4841	2.4856	3.0469	1.7644		2.9435	2.3564
H12	3.9703	2.5937	2.0672	1.0921	2.0802	3.1396	4.6520	4.5122	4.1539	2.3564	2.9435		1.7638
H13	3.9703	2.5937	2.0672	1.0921	2.0802	3.1396	4.6520	4.1539	4.5122	2.9435	2.3564	1.7638

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.888	C1	C2	H10	110.906
C1	C2	H11	110.906	C2	C1	H7	110.195
C2	C1	H8	110.206	C2	C1	H9	110.206
C2	O3	C4	110.511	O3	C2	H10	109.658
O3	C2	H11	109.658	O3	C4	C5	108.926
O3	C4	H12	111.471	O3	C4	H13	111.471
C4	C5	N6	178.442	C5	C4	H12	108.589
C5	C4	H13	108.589	H7	C1	H8	108.798
H7	C1	H9	108.798	H8	C1	H9	108.594
H10	C2	H11	107.822	H12	C4	H13	107.712

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: MP2=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)