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	hartrees
Energy at 0K	-286.464883
Energy at 298.15K	-286.472755
HF Energy	-286.464883
Nuclear repulsion energy	216.401732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	3014	16.86
2	A'	3084	2936	12.26
3	A'	3040	2895	31.10
4	A'	3020	2875	46.01
5	A'	2434	2318	0.87
6	A'	1537	1464	4.36
7	A'	1510	1438	1.39
8	A'	1506	1434	7.24
9	A'	1463	1393	8.69
10	A'	1417	1350	28.98
11	A'	1392	1326	50.77
12	A'	1219	1161	205.24
13	A'	1169	1113	26.03
14	A'	1082	1031	18.46
15	A'	973	926	9.30
16	A'	921	877	3.25
17	A'	567	540	0.71
18	A'	430	410	1.27
19	A'	310	295	2.07
20	A'	138	132	3.25
21	A"	3175	3023	17.78
22	A"	3077	2930	9.29
23	A"	3055	2909	55.29
24	A"	1494	1423	8.09
25	A"	1314	1252	4.22
26	A"	1272	1211	3.36
27	A"	1191	1134	7.23
28	A"	1036	986	1.81
29	A"	834	794	0.38
30	A"	377	359	1.20
31	A"	263	250	0.39
32	A"	119	113	7.67
33	A"	84	80	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	-0.919	2.543	0.000
C2	-1.231	1.062	0.000
O3	0.000	0.357	0.000
C4	-0.190	-1.029	0.000
C5	1.123	-1.695	0.000
N6	2.136	-2.248	0.000
H7	-1.845	3.124	0.000
H8	-0.339	2.808	0.887
H9	-0.339	2.808	-0.887
H10	-1.816	0.782	-0.890
H11	-1.816	0.782	0.890
H12	-0.745	-1.361	-0.890
H13	-0.745	-1.361	0.890

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5136	2.3713	3.6460	4.7042	5.6823	1.0930	1.0923	1.0923	2.1674	2.1674	4.0087	4.0087
C2	1.5136		1.4189	2.3362	3.6253	4.7219	2.1509	2.1518	2.1518	1.1009	1.1009	2.6275	2.6275
O3	2.3713	1.4189		1.3996	2.3391	3.3690	3.3253	2.6279	2.6279	2.0662	2.0662	2.0741	2.0741
C4	3.6460	2.3362	1.3996		1.4720	2.6263	4.4705	3.9410	3.9410	2.5913	2.5913	1.1004	1.1004
C5	4.7042	3.6253	2.3391	1.4720		1.1545	5.6592	4.8162	4.8162	3.9447	3.9447	2.0957	2.0957
N6	5.6823	4.7219	3.3690	2.6263	1.1545		6.6861	5.6983	5.6983	5.0586	5.0586	3.1431	3.1431
H7	1.0930	2.1509	3.3253	4.4705	5.6592	6.6861		1.7764	1.7764	2.5052	2.5052	4.7032	4.7032
H8	1.0923	2.1518	2.6279	3.9410	4.8162	5.6983	1.7764		1.7736	3.0728	2.5069	4.5504	4.1890
H9	1.0923	2.1518	2.6279	3.9410	4.8162	5.6983	1.7764	1.7736		2.5069	3.0728	4.1890	4.5504
H10	2.1674	1.1009	2.0662	2.5913	3.9447	5.0586	2.5052	3.0728	2.5069		1.7803	2.3961	2.9853
H11	2.1674	1.1009	2.0662	2.5913	3.9447	5.0586	2.5052	2.5069	3.0728	1.7803		2.9853	2.3961
H12	4.0087	2.6275	2.0741	1.1004	2.0957	3.1431	4.7032	4.5504	4.1890	2.3961	2.9853		1.7810
H13	4.0087	2.6275	2.0741	1.1004	2.0957	3.1431	4.7032	4.1890	4.5504	2.9853	2.3961	1.7810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.881	C1	C2	H10	111.004
C1	C2	H11	111.004	C2	C1	H7	110.169
C2	C1	H8	110.281	C2	C1	H9	110.281
C2	O3	C4	111.973	O3	C2	H10	109.520
O3	C2	H11	109.520	O3	C4	C5	109.065
O3	C4	H12	111.569	O3	C4	H13	111.569
C4	C5	N6	178.259	C5	C4	H12	108.243
C5	C4	H13	108.243	H7	C1	H8	108.756
H7	C1	H9	108.756	H8	C1	H9	108.552
H10	C2	H11	107.903	H12	C4	H13	108.043

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: M06-2X/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: M06-2X/6-31+G**

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)