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	hartrees
Energy at 0K	-285.752765
Energy at 298.15K	-285.760481
HF Energy	-284.826873
Nuclear repulsion energy	215.050386

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3145	3017
2	A'	3065	2941
3	A'	3003	2881
4	A'	2994	2872
5	A'	2305	2211
6	A'	1574	1510
7	A'	1547	1484
8	A'	1542	1479
9	A'	1479	1419
10	A'	1444	1385
11	A'	1404	1347
12	A'	1180	1132
13	A'	1170	1122
14	A'	1069	1025
15	A'	965	926
16	A'	915	877
17	A'	543	521
18	A'	426	409
19	A'	295	283
20	A'	129	124
21	A"	3156	3027
22	A"	3036	2913
23	A"	3031	2907
24	A"	1527	1465
25	A"	1317	1264
26	A"	1272	1220
27	A"	1212	1163
28	A"	1053	1010
29	A"	840	806
30	A"	346	332
31	A"	258	247
32	A"	110	106
33	A"	70	67

Atom	x (Å)	y (Å)	z (Å)
C1	-0.962	2.536	0.000
C2	-1.258	1.047	0.000
O3	0.000	0.362	0.000
C4	-0.183	-1.041	0.000
C5	1.150	-1.680	0.000
N6	2.191	-2.221	0.000
H7	-1.898	3.110	0.000
H8	-0.382	2.806	0.890
H9	-0.382	2.806	-0.890
H10	-1.841	0.757	-0.892
H11	-1.841	0.757	0.892
H12	-0.739	-1.380	-0.892
H13	-0.739	-1.380	0.892

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5174	2.3770	3.6602	4.7150	5.7067	1.0979	1.0964	1.0964	2.1755	2.1755	4.0221	4.0221
C2	1.5174		1.4323	2.3484	3.6380	4.7513	2.1595	2.1569	2.1569	1.1048	1.1048	2.6375	2.6375
O3	2.3770	1.4323		1.4145	2.3434	3.3870	3.3395	2.6289	2.6289	2.0837	2.0837	2.0919	2.0919
C4	3.6602	2.3484	1.4145		1.4781	2.6508	4.4909	3.9533	3.9533	2.6034	2.6034	1.1045	1.1045
C5	4.7150	3.6380	2.3434	1.4781		1.1730	5.6772	4.8230	4.8230	3.9599	3.9599	2.1103	2.1103
N6	5.7067	4.7513	3.3870	2.6508	1.1730		6.7183	5.7168	5.7168	5.0913	5.0913	3.1758	3.1758
H7	1.0979	2.1595	3.3395	4.4909	5.6772	6.7183		1.7841	1.7841	2.5169	2.5169	4.7220	4.7220
H8	1.0964	2.1569	2.6289	3.9533	4.8230	5.7168	1.7841		1.7802	3.0829	2.5156	4.5635	4.2011
H9	1.0964	2.1569	2.6289	3.9533	4.8230	5.7168	1.7841	1.7802		2.5156	3.0829	4.2011	4.5635
H10	2.1755	1.1048	2.0837	2.6034	3.9599	5.0913	2.5169	3.0829	2.5156		1.7842	2.4045	2.9941
H11	2.1755	1.1048	2.0837	2.6034	3.9599	5.0913	2.5169	2.5156	3.0829	1.7842		2.9941	2.4045
H12	4.0221	2.6375	2.0919	1.1045	2.1103	3.1758	4.7220	4.5635	4.2011	2.4045	2.9941		1.7840
H13	4.0221	2.6375	2.0919	1.1045	2.1103	3.1758	4.7220	4.2011	4.5635	2.9941	2.4045	1.7840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.350	C1	C2	H10	111.144
C1	C2	H11	111.144	C2	C1	H7	110.290
C2	C1	H8	110.178	C2	C1	H9	110.178
C2	O3	C4	111.165	O3	C2	H10	109.752
O3	C2	H11	109.752	O3	C4	C5	108.199
O3	C4	H12	111.694	O3	C4	H13	111.694
C4	C5	N6	178.141	C5	C4	H12	108.731
C5	C4	H13	108.731	H7	C1	H8	108.796
H7	C1	H9	108.796	H8	C1	H9	108.558
H10	C2	H11	107.701	H12	C4	H13	107.717

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: QCISD(T)/6-31G*

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: QCISD(T)/6-31G*

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)