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	hartrees
Energy at 0K	-283.898745
Energy at 298.15K	-283.906498
HF Energy	-283.239201
Nuclear repulsion energy	211.897177

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3119	3025
2	A'	3048	2956
3	A'	2983	2893
4	A'	2981	2891
5	A'	2171	2105
6	A'	1604	1555
7	A'	1583	1535
8	A'	1579	1531
9	A'	1474	1429
10	A'	1461	1417
11	A'	1393	1351
12	A'	1155	1120
13	A'	1073	1040
14	A'	985	955
15	A'	924	896
16	A'	863	837
17	A'	557	540
18	A'	406	393
19	A'	297	288
20	A'	129	125
21	A"	3131	3036
22	A"	3015	2924
23	A"	3008	2918
24	A"	1564	1517
25	A"	1327	1287
26	A"	1270	1232
27	A"	1203	1166
28	A"	1069	1037
29	A"	864	838
30	A"	419	407
31	A"	241	234
32	A"	105	102
33	A"	73	70

Atom	x (Å)	y (Å)	z (Å)
C1	-0.997	2.552	0.000
C2	-1.316	1.045	0.000
O3	0.000	0.363	0.000
C4	-0.177	-1.099	0.000
C5	1.179	-1.691	0.000
N6	2.266	-2.160	0.000
H7	-1.925	3.141	0.000
H8	-0.408	2.799	0.892
H9	-0.408	2.799	-0.892
H10	-1.896	0.760	-0.895
H11	-1.896	0.760	0.895
H12	-0.729	-1.440	-0.894
H13	-0.729	-1.440	0.894

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5398	2.4053	3.7414	4.7685	5.7312	1.0987	1.0969	1.0969	2.1953	2.1953	4.0997	4.0997
C2	1.5398		1.4826	2.4278	3.7033	4.8067	2.1825	2.1669	2.1669	1.1041	1.1041	2.7060	2.7060
O3	2.4053	1.4826		1.4722	2.3684	3.3910	3.3798	2.6261	2.6261	2.1342	2.1342	2.1406	2.1406
C4	3.7414	2.4278	1.4722		1.4796	2.6633	4.5860	4.0050	4.0050	2.6855	2.6855	1.1048	1.1048
C5	4.7685	3.7033	2.3684	1.4796		1.1837	5.7432	4.8453	4.8453	4.0331	4.0331	2.1217	2.1217
N6	5.7312	4.8067	3.3910	2.6633	1.1837		6.7573	5.7041	5.7041	5.1623	5.1623	3.2071	3.2071
H7	1.0987	2.1825	3.3798	4.5860	5.7432	6.7573		1.7920	1.7920	2.5442	2.5442	4.8187	4.8187
H8	1.0969	2.1669	2.6261	4.0050	4.8453	5.7041	1.7920		1.7832	3.0927	2.5242	4.6112	4.2515
H9	1.0969	2.1669	2.6261	4.0050	4.8453	5.7041	1.7920	1.7832		2.5242	3.0927	4.2515	4.6112
H10	2.1953	1.1041	2.1342	2.6855	4.0331	5.1623	2.5442	3.0927	2.5242		1.7906	2.4908	3.0668
H11	2.1953	1.1041	2.1342	2.6855	4.0331	5.1623	2.5442	2.5242	3.0927	1.7906		3.0668	2.4908
H12	4.0997	2.7060	2.1406	1.1048	2.1217	3.2071	4.8187	4.6112	4.2515	2.4908	3.0668		1.7877
H13	4.0997	2.7060	2.1406	1.1048	2.1217	3.2071	4.8187	4.2515	4.6112	3.0668	2.4908	1.7877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.446	C1	C2	H10	111.193
C1	C2	H11	111.193	C2	C1	H7	110.504
C2	C1	H8	109.384	C2	C1	H9	109.384
C2	O3	C4	110.499	O3	C2	H10	110.326
O3	C2	H11	110.326	O3	C4	C5	106.711
O3	C4	H12	111.538	O3	C4	H13	111.538
C4	C5	N6	179.710	C5	C4	H12	109.509
C5	C4	H13	109.509	H7	C1	H8	109.400
H7	C1	H9	109.400	H8	C1	H9	108.741
H10	C2	H11	108.358	H12	C4	H13	108.015

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)