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	hartrees
Energy at 0K	-286.286628
Energy at 298.15K	-286.294303
HF Energy	-286.286628
Nuclear repulsion energy	215.180760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3061	3029	23.07
2	A'	2986	2955	15.79
3	A'	2897	2867	82.04
4	A'	2888	2858	15.84
5	A'	2287	2264	0.25
6	A'	1495	1480	5.13
7	A'	1470	1455	1.66
8	A'	1458	1443	9.06
9	A'	1407	1393	9.38
10	A'	1370	1355	15.96
11	A'	1341	1327	44.77
12	A'	1124	1113	52.94
13	A'	1103	1091	173.62
14	A'	1021	1010	19.94
15	A'	939	930	4.55
16	A'	879	869	7.67
17	A'	546	540	0.87
18	A'	412	408	1.12
19	A'	294	291	1.52
20	A'	129	127	3.01
21	A"	3064	3032	26.37
22	A"	2922	2892	32.06
23	A"	2908	2878	64.32
24	A"	1452	1436	9.20
25	A"	1270	1257	2.44
26	A"	1225	1212	3.86
27	A"	1154	1142	7.03
28	A"	1000	990	0.90
29	A"	807	799	0.87
30	A"	369	366	0.83
31	A"	246	243	0.29
32	A"	116	114	5.88
33	A"	77	76	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-1.045	2.512	0.000
C2	-1.277	1.015	0.000
O3	0.000	0.368	0.000
C4	-0.135	-1.039	0.000
C5	1.192	-1.658	0.000
N6	2.235	-2.175	0.000
H7	-2.006	3.049	0.000
H8	-0.477	2.817	0.891
H9	-0.477	2.817	-0.891
H10	-1.856	0.702	-0.894
H11	-1.856	0.702	0.894
H12	-0.691	-1.397	-0.893
H13	-0.691	-1.397	0.893

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5158	2.3850	3.6661	4.7322	5.7208	1.1005	1.0997	1.0997	2.1761	2.1761	4.0258	4.0258
C2	1.5158		1.4313	2.3498	3.6383	4.7442	2.1609	2.1640	2.1640	1.1101	1.1101	2.6376	2.6376
O3	2.3850	1.4313		1.4139	2.3507	3.3857	3.3478	2.6489	2.6489	2.0870	2.0870	2.0958	2.0958
C4	3.6661	2.3498	1.4139		1.4640	2.6282	4.4957	3.9723	3.9723	2.6061	2.6061	1.1111	1.1111
C5	4.7322	3.6383	2.3507	1.4640		1.1644	5.6901	4.8581	4.8581	3.9568	3.9568	2.1002	2.1002
N6	5.7208	4.7442	3.3857	2.6282	1.1644		6.7284	5.7502	5.7502	5.0805	5.0805	3.1569	3.1569
H7	1.1005	2.1609	3.3478	4.4957	5.6901	6.7284		1.7846	1.7846	2.5161	2.5161	4.7216	4.7216
H8	1.0997	2.1640	2.6489	3.9723	4.8581	5.7502	1.7846		1.7821	3.0923	2.5249	4.5811	4.2196
H9	1.0997	2.1640	2.6489	3.9723	4.8581	5.7502	1.7846	1.7821		2.5249	3.0923	4.2196	4.5811
H10	2.1761	1.1101	2.0870	2.6061	3.9568	5.0805	2.5161	3.0923	2.5249		1.7885	2.4006	2.9926
H11	2.1761	1.1101	2.0870	2.6061	3.9568	5.0805	2.5161	2.5249	3.0923	1.7885		2.9926	2.4006
H12	4.0258	2.6376	2.0958	1.1111	2.1002	3.1569	4.7216	4.5811	4.2196	2.4006	2.9926		1.7852
H13	4.0258	2.6376	2.0958	1.1111	2.1002	3.1569	4.7216	4.2196	4.5811	2.9926	2.4006	1.7852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.015	C1	C2	H10	110.992
C1	C2	H11	110.992	C2	C1	H7	110.364
C2	C1	H8	110.658	C2	C1	H9	110.658
C2	O3	C4	111.351	O3	C2	H10	109.759
O3	C2	H11	109.759	O3	C4	C5	109.521
O3	C4	H12	111.640	O3	C4	H13	111.640
C4	C5	N6	178.652	C5	C4	H12	108.511
C5	C4	H13	108.511	H7	C1	H8	108.416
H7	C1	H9	108.416	H8	C1	H9	108.252
H10	C2	H11	107.325	H12	C4	H13	106.902

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: PBEPBE/6-311G*

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: PBEPBE/6-311G*

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)