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	hartrees
Energy at 0K	-285.755479
Energy at 298.15K	-285.763265
HF Energy	-284.847973
Nuclear repulsion energy	215.258990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3209	3050	14.37
2	A'	3104	2950	12.30
3	A'	3038	2888	43.59
4	A'	3028	2878	31.35
5	A'	2205	2096	9.99
6	A'	1533	1457	2.92
7	A'	1504	1430	1.10
8	A'	1501	1427	4.64
9	A'	1455	1383	9.89
10	A'	1406	1336	27.88
11	A'	1381	1312	54.86
12	A'	1188	1129	190.35
13	A'	1162	1104	15.07
14	A'	1079	1026	20.51
15	A'	967	919	6.17
16	A'	916	870	5.85
17	A'	549	522	0.69
18	A'	426	405	0.86
19	A'	296	281	1.57
20	A'	130	124	2.82
21	A"	3215	3056	14.74
22	A"	3088	2934	4.36
23	A"	3078	2925	75.13
24	A"	1484	1410	6.31
25	A"	1304	1240	2.56
26	A"	1264	1201	3.85
27	A"	1193	1134	7.12
28	A"	1038	986	1.90
29	A"	829	788	0.41
30	A"	355	337	0.91
31	A"	263	250	0.46
32	A"	113	108	5.54
33	A"	76	72	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.991	2.521	0.000
C2	-1.259	1.029	0.000
O3	0.000	0.365	0.000
C4	-0.173	-1.032	0.000
C5	1.157	-1.668	0.000
N6	2.215	-2.200	0.000
H7	-1.939	3.080	0.000
H8	-0.413	2.802	0.893
H9	-0.413	2.802	-0.893
H10	-1.844	0.732	-0.894
H11	-1.844	0.732	0.894
H12	-0.730	-1.379	-0.894
H13	-0.730	-1.379	0.894

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5155	2.3724	3.6458	4.7074	5.7056	1.1007	1.0999	1.0999	2.1744	2.1744	4.0087	4.0087
C2	1.5155		1.4231	2.3297	3.6210	4.7422	2.1606	2.1576	2.1576	1.1091	1.1091	2.6220	2.6220
O3	2.3724	1.4231		1.4079	2.3394	3.3885	3.3361	2.6280	2.6280	2.0818	2.0818	2.0906	2.0906
C4	3.6458	2.3297	1.4079		1.4744	2.6578	4.4752	3.9440	3.9440	2.5889	2.5889	1.1083	1.1083
C5	4.7074	3.6210	2.3394	1.4744		1.1836	5.6682	4.8212	4.8212	3.9453	3.9453	2.1076	2.1076
N6	5.7056	4.7422	3.3885	2.6578	1.1836		6.7174	5.7197	5.7197	5.0857	5.0857	3.1846	3.1846
H7	1.1007	2.1606	3.3361	4.4752	5.6682	6.7174		1.7895	1.7895	2.5144	2.5144	4.7051	4.7051
H8	1.0999	2.1576	2.6280	3.9440	4.8212	5.7197	1.7895		1.7853	3.0864	2.5169	4.5571	4.1924
H9	1.0999	2.1576	2.6280	3.9440	4.8212	5.7197	1.7895	1.7853		2.5169	3.0864	4.1924	4.5571
H10	2.1744	1.1091	2.0818	2.5889	3.9453	5.0857	2.5144	3.0864	2.5169		1.7876	2.3864	2.9816
H11	2.1744	1.1091	2.0818	2.5889	3.9453	5.0857	2.5144	2.5169	3.0864	1.7876		2.9816	2.3864
H12	4.0087	2.6220	2.0906	1.1083	2.1076	3.1846	4.7051	4.5571	4.1924	2.3864	2.9816		1.7875
H13	4.0087	2.6220	2.0906	1.1083	2.1076	3.1846	4.7051	4.1924	4.5571	2.9816	2.3864	1.7875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.631	C1	C2	H10	110.935
C1	C2	H11	110.935	C2	C1	H7	110.347
C2	C1	H8	110.159	C2	C1	H9	110.159
C2	O3	C4	110.759	O3	C2	H10	109.980
O3	C2	H11	109.980	O3	C4	C5	108.495
O3	C4	H12	111.822	O3	C4	H13	111.822
C4	C5	N6	178.883	C5	C4	H12	108.556
C5	C4	H13	108.556	H7	C1	H8	108.816
H7	C1	H9	108.816	H8	C1	H9	108.498
H10	C2	H11	107.393	H12	C4	H13	107.495

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: MP2=FULL/cc-pVDZ

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-pVDZ

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)