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	hartrees
Energy at 0K	-285.824197
Energy at 298.15K	-285.831893
HF Energy	-284.846879
Nuclear repulsion energy	214.482548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3159	3055
2	A'	3065	2964
3	A'	2997	2898
4	A'	2986	2887
5	A'	2188	2116
6	A'	1523	1473
7	A'	1494	1444
8	A'	1491	1442
9	A'	1446	1398
10	A'	1399	1353
11	A'	1371	1325
12	A'	1171	1132
13	A'	1152	1113
14	A'	1066	1031
15	A'	950	919
16	A'	904	875
17	A'	538	521
18	A'	421	408
19	A'	291	282
20	A'	128	124
21	A"	3165	3060
22	A"	3038	2937
23	A"	3028	2928
24	A"	1475	1426
25	A"	1291	1248
26	A"	1249	1207
27	A"	1185	1146
28	A"	1028	994
29	A"	820	793
30	A"	348	336
31	A"	254	245
32	A"	108	105
33	A"	65	63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.992	2.532	0.000
C2	-1.262	1.034	0.000
O3	0.000	0.366	0.000
C4	-0.175	-1.034	0.000
C5	1.163	-1.676	0.000
N6	2.219	-2.213	0.000
H7	-1.944	3.093	0.000
H8	-0.411	2.814	0.896
H9	-0.411	2.814	-0.896
H10	-1.850	0.735	-0.897
H11	-1.850	0.735	0.897
H12	-0.733	-1.383	-0.897
H13	-0.733	-1.383	0.897

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5221	2.3819	3.6581	4.7271	5.7284	1.1050	1.1043	1.1043	2.1838	2.1838	4.0244	4.0244
C2	1.5221		1.4281	2.3364	3.6365	4.7599	2.1686	2.1668	2.1668	1.1135	1.1135	2.6318	2.6318
O3	2.3819	1.4281		1.4111	2.3498	3.4018	3.3485	2.6389	2.6389	2.0891	2.0891	2.0979	2.0979
C4	3.6581	2.3364	1.4111		1.4840	2.6681	4.4898	3.9579	3.9579	2.5965	2.5965	1.1127	1.1127
C5	4.7271	3.6365	2.3498	1.4840		1.1843	5.6912	4.8413	4.8413	3.9619	3.9619	2.1179	2.1179
N6	5.7284	4.7599	3.4018	2.6681	1.1843		6.7432	5.7433	5.7433	5.1039	5.1039	3.1946	3.1946
H7	1.1050	2.1686	3.3485	4.4898	5.6912	6.7432		1.7969	1.7969	2.5240	2.5240	4.7224	4.7224
H8	1.1043	2.1668	2.6389	3.9579	4.8413	5.7433	1.7969		1.7925	3.0994	2.5276	4.5751	4.2088
H9	1.1043	2.1668	2.6389	3.9579	4.8413	5.7433	1.7969	1.7925		2.5276	3.0994	4.2088	4.5751
H10	2.1838	1.1135	2.0891	2.5965	3.9619	5.1039	2.5240	3.0994	2.5276		1.7949	2.3947	2.9927
H11	2.1838	1.1135	2.0891	2.5965	3.9619	5.1039	2.5240	2.5276	3.0994	1.7949		2.9927	2.3947
H12	4.0244	2.6318	2.0979	1.1127	2.1179	3.1946	4.7224	4.5751	4.2088	2.3947	2.9927		1.7950
H13	4.0244	2.6318	2.0979	1.1127	2.1179	3.1946	4.7224	4.2088	4.5751	2.9927	2.3947	1.7950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.640	C1	C2	H10	110.956
C1	C2	H11	110.956	C2	C1	H7	110.262
C2	C1	H8	110.166	C2	C1	H9	110.166
C2	O3	C4	110.751	O3	C2	H10	109.946
O3	C2	H11	109.946	O3	C4	C5	108.492
O3	C4	H12	111.909	O3	C4	H13	111.909
C4	C5	N6	178.666	C5	C4	H12	108.451
C5	C4	H13	108.451	H7	C1	H8	108.850
H7	C1	H9	108.850	H8	C1	H9	108.503
H10	C2	H11	107.409	H12	C4	H13	107.522

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: MP4/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: MP4/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)