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	hartrees
Energy at 0K	-285.805568
Energy at 298.15K	-285.813362
HF Energy	-284.849369
Nuclear repulsion energy	216.220332

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3228	3007	21.73
2	A'	3141	2926	15.06
3	A'	3100	2888	34.90
4	A'	3085	2874	39.76
5	A'	2455	2287	0.23
6	A'	1587	1479	2.12
7	A'	1563	1456	2.53
8	A'	1554	1448	3.75
9	A'	1501	1398	9.03
10	A'	1462	1362	18.02
11	A'	1431	1333	70.01
12	A'	1212	1129	183.55
13	A'	1189	1108	19.34
14	A'	1091	1016	19.37
15	A'	985	918	12.28
16	A'	932	868	5.33
17	A'	560	521	0.61
18	A'	431	402	1.14
19	A'	303	282	1.88
20	A'	134	125	3.31
21	A"	3240	3018	21.70
22	A"	3143	2928	9.34
23	A"	3128	2914	53.29
24	A"	1537	1432	6.31
25	A"	1335	1244	3.41
26	A"	1292	1204	3.31
27	A"	1223	1139	6.79
28	A"	1060	988	2.86
29	A"	846	788	0.11
30	A"	354	330	1.26
31	A"	255	237	0.43
32	A"	106	99	7.74
33	A"	67	62	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	-0.873	2.559	0.000
C2	-1.215	1.085	0.000
O3	0.000	0.353	0.000
C4	-0.212	-1.031	0.000
C5	1.096	-1.711	0.000
N6	2.106	-2.277	0.000
H7	-1.785	3.153	0.000
H8	-0.291	2.810	0.883
H9	-0.291	2.810	-0.883
H10	-1.806	0.825	-0.885
H11	-1.806	0.825	0.885
H12	-0.767	-1.359	-0.885
H13	-0.767	-1.359	0.885

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5126	2.3718	3.6504	4.7018	5.6795	1.0882	1.0871	1.0871	2.1587	2.1587	4.0182	4.0182
C2	1.5126		1.4190	2.3426	3.6281	4.7262	2.1441	2.1466	2.1466	1.0953	1.0953	2.6385	2.6385
O3	2.3718	1.4190		1.4008	2.3372	3.3694	3.3198	2.6265	2.6265	2.0658	2.0658	2.0746	2.0746
C4	3.6504	2.3426	1.4008		1.4738	2.6311	4.4698	3.9421	3.9421	2.6020	2.6020	1.0947	1.0947
C5	4.7018	3.6281	2.3372	1.4738		1.1576	5.6527	4.8105	4.8105	3.9542	3.9542	2.0917	2.0917
N6	5.6795	4.7262	3.3694	2.6311	1.1576		6.6795	5.6920	5.6920	5.0702	5.0702	3.1424	3.1424
H7	1.0882	2.1441	3.3198	4.4698	5.6527	6.6795		1.7689	1.7689	2.4903	2.4903	4.7093	4.7093
H8	1.0871	2.1466	2.6265	3.9421	4.8105	5.6920	1.7689		1.7665	3.0596	2.4969	4.5534	4.1960
H9	1.0871	2.1466	2.6265	3.9421	4.8105	5.6920	1.7689	1.7665		2.4969	3.0596	4.1960	4.5534
H10	2.1587	1.0953	2.0658	2.6020	3.9542	5.0702	2.4903	3.0596	2.4969		1.7700	2.4190	2.9974
H11	2.1587	1.0953	2.0658	2.6020	3.9542	5.0702	2.4903	2.4969	3.0596	1.7700		2.9974	2.4190
H12	4.0182	2.6385	2.0746	1.0947	2.0917	3.1424	4.7093	4.5534	4.1960	2.4190	2.9974		1.7699
H13	4.0182	2.6385	2.0746	1.0947	2.0917	3.1424	4.7093	4.1960	4.5534	2.9974	2.4190	1.7699

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.965	C1	C2	H10	110.715
C1	C2	H11	110.715	C2	C1	H7	109.980
C2	C1	H8	110.249	C2	C1	H9	110.249
C2	O3	C4	112.359	O3	C2	H10	109.825
O3	C2	H11	109.825	O3	C4	C5	108.767
O3	C4	H12	111.889	O3	C4	H13	111.889
C4	C5	N6	178.200	C5	C4	H12	108.142
C5	C4	H13	108.142	H7	C1	H8	108.819
H7	C1	H9	108.819	H8	C1	H9	108.686
H10	C2	H11	107.798	H12	C4	H13	107.881

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)