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	hartrees
Energy at 0K	-285.040175
Energy at 298.15K	-285.047912
HF Energy	-285.040175
Nuclear repulsion energy	217.754256

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3093	3044	6.19
2	A'	2997	2949	6.30
3	A'	2874	2828	50.35
4	A'	2865	2819	20.21
5	A'	2333	2295	1.08
6	A'	1460	1436	9.15
7	A'	1427	1404	0.56
8	A'	1414	1391	10.20
9	A'	1383	1360	9.60
10	A'	1332	1311	23.49
11	A'	1310	1289	35.57
12	A'	1202	1182	196.78
13	A'	1128	1110	19.37
14	A'	1071	1054	20.40
15	A'	957	942	0.60
16	A'	892	878	2.84
17	A'	552	544	1.27
18	A'	421	414	0.89
19	A'	298	293	2.18
20	A'	130	128	3.42
21	A"	3088	3039	7.59
22	A"	2904	2858	23.55
23	A"	2881	2834	42.08
24	A"	1406	1384	7.87
25	A"	1242	1222	3.03
26	A"	1197	1178	6.43
27	A"	1143	1124	6.30
28	A"	982	966	0.06
29	A"	790	777	2.00
30	A"	382	376	1.30
31	A"	242	238	0.12
32	A"	125	123	5.00
33	A"	84	83	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-1.083	2.459	0.000
C2	-1.265	0.973	0.000
O3	0.000	0.373	0.000
C4	-0.112	-1.007	0.000
C5	1.201	-1.614	0.000
N6	2.241	-2.129	0.000
H7	-2.058	2.969	0.000
H8	-0.521	2.778	0.892
H9	-0.521	2.778	-0.892
H10	-1.843	0.639	-0.893
H11	-1.843	0.639	0.893
H12	-0.675	-1.376	-0.891
H13	-0.675	-1.376	0.891

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.4970	2.3502	3.5996	4.6696	5.6658	1.1008	1.1012	1.1012	2.1657	2.1657	3.9585	3.9585
C2	1.4970		1.4000	2.2915	3.5741	4.6815	2.1473	2.1460	2.1460	1.1151	1.1151	2.5811	2.5811
O3	2.3502	1.4000		1.3847	2.3218	3.3592	3.3126	2.6172	2.6172	2.0646	2.0646	2.0759	2.0759
C4	3.5996	2.2915	1.3847		1.4465	2.6068	4.4265	3.9100	3.9100	2.5495	2.5495	1.1167	1.1167
C5	4.6696	3.5741	2.3218	1.4465		1.1606	5.6235	4.8009	4.8009	3.8902	3.8902	2.0904	2.0904
N6	5.6658	4.6815	3.3592	2.6068	1.1606		6.6689	5.7014	5.7014	5.0132	5.0132	3.1405	3.1405
H7	1.1008	2.1473	3.3126	4.4265	5.6235	6.6689		1.7877	1.7877	2.5047	2.5047	4.6459	4.6459
H8	1.1012	2.1460	2.6172	3.9100	4.8009	5.7014	1.7877		1.7841	3.0838	2.5146	4.5231	4.1568
H9	1.1012	2.1460	2.6172	3.9100	4.8009	5.7014	1.7877	1.7841		2.5146	3.0838	4.1568	4.5231
H10	2.1657	1.1151	2.0646	2.5495	3.8902	5.0132	2.5047	3.0838	2.5146		1.7861	2.3285	2.9334
H11	2.1657	1.1151	2.0646	2.5495	3.8902	5.0132	2.5047	2.5146	3.0838	1.7861		2.9334	2.3285
H12	3.9585	2.5811	2.0759	1.1167	2.0904	3.1405	4.6459	4.5231	4.1568	2.3285	2.9334		1.7820
H13	3.9585	2.5811	2.0759	1.1167	2.0904	3.1405	4.6459	4.1568	4.5231	2.9334	2.3285	1.7820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.396	C1	C2	H10	111.170
C1	C2	H11	111.170	C2	C1	H7	110.576
C2	C1	H8	110.443	C2	C1	H9	110.443
C2	O3	C4	110.747	O3	C2	H10	109.835
O3	C2	H11	109.835	O3	C4	C5	110.168
O3	C4	H12	111.729	O3	C4	H13	111.729
C4	C5	N6	178.432	C5	C4	H12	108.597
C5	C4	H13	108.597	H7	C1	H8	108.553
H7	C1	H9	108.553	H8	C1	H9	108.203
H10	C2	H11	106.427	H12	C4	H13	105.858

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: LSDA/6-31G(2df,p)

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: LSDA/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)