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	hartrees
Energy at 0K	-286.088499
Energy at 298.15K	-286.096994
HF Energy	-284.833407
Nuclear repulsion energy	217.764841

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	3096	37.77
2	A'	3218	3032	19.69
3	A'	3204	3019	40.55
4	A'	3178	2994	39.19
5	A'	2630	2478	2.55
6	A'	1684	1586	1.78
7	A'	1657	1561	2.51
8	A'	1644	1549	3.25
9	A'	1607	1514	6.83
10	A'	1562	1472	42.01
11	A'	1533	1444	83.69
12	A'	1303	1228	245.84
13	A'	1265	1192	31.72
14	A'	1138	1072	18.85
15	A'	1029	969	25.37
16	A'	974	918	0.73
17	A'	610	575	2.01
18	A'	451	425	1.56
19	A'	330	311	3.22
20	A'	144	136	4.05
21	A"	3298	3108	39.76
22	A"	3240	3053	32.55
23	A"	3210	3024	58.70
24	A"	1628	1534	3.90
25	A"	1430	1348	4.43
26	A"	1394	1313	3.18
27	A"	1303	1227	8.32
28	A"	1146	1079	3.19
29	A"	891	840	0.04
30	A"	419	395	3.80
31	A"	271	255	0.63
32	A"	119	112	8.79
33	A"	79	75	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.962	2.524	0.000
C2	-1.254	1.042	0.000
O3	0.000	0.361	0.000
C4	-0.181	-1.039	0.000
C5	1.143	-1.670	0.000
N6	2.191	-2.209	0.000
H7	-1.894	3.095	0.000
H8	-0.385	2.793	0.886
H9	-0.385	2.793	-0.886
H10	-1.836	0.753	-0.888
H11	-1.836	0.753	0.888
H12	-0.738	-1.375	-0.888
H13	-0.738	-1.375	0.888

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5104	2.3668	3.6468	4.6924	5.6866	1.0931	1.0913	1.0913	2.1655	2.1655	4.0046	4.0046
C2	1.5104		1.4273	2.3410	3.6197	4.7371	2.1501	2.1466	2.1466	1.1003	1.1003	2.6260	2.6260
O3	2.3668	1.4273		1.4114	2.3307	3.3773	3.3256	2.6167	2.6167	2.0767	2.0767	2.0848	2.0848
C4	3.6468	2.3410	1.4114		1.4669	2.6454	4.4741	3.9379	3.9379	2.5953	2.5953	1.1007	1.1007
C5	4.6924	3.6197	2.3307	1.4669		1.1788	5.6503	4.7998	4.7998	3.9410	3.9410	2.1006	2.1006
N6	5.6866	4.7371	3.3773	2.6454	1.1788		6.6944	5.6954	5.6954	5.0771	5.0771	3.1724	3.1724
H7	1.0931	2.1501	3.3256	4.4741	5.6503	6.6944		1.7760	1.7760	2.5055	2.5055	4.7012	4.7012
H8	1.0913	2.1466	2.6167	3.9379	4.7998	5.6954	1.7760		1.7727	3.0688	2.5036	4.5434	4.1825
H9	1.0913	2.1466	2.6167	3.9379	4.7998	5.6954	1.7760	1.7727		2.5036	3.0688	4.1825	4.5434
H10	2.1655	1.1003	2.0767	2.5953	3.9410	5.0771	2.5055	3.0688	2.5036		1.7765	2.3941	2.9811
H11	2.1655	1.1003	2.0767	2.5953	3.9410	5.0771	2.5055	2.5036	3.0688	1.7765		2.9811	2.3941
H12	4.0046	2.6260	2.0848	1.1007	2.1006	3.1724	4.7012	4.5434	4.1825	2.3941	2.9811		1.7763
H13	4.0046	2.6260	2.0848	1.1007	2.1006	3.1724	4.7012	4.1825	4.5434	2.9811	2.3941	1.7763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.185	C1	C2	H10	110.776
C1	C2	H11	110.776	C2	C1	H7	110.267
C2	C1	H8	110.412	C2	C1	H9	110.412
C2	O3	C4	113.994	O3	C2	H10	109.719
O3	C2	H11	109.719	O3	C4	C5	108.896
O3	C4	H12	111.803	O3	C4	H13	111.803
C4	C5	N6	178.126	C5	C4	H12	108.125
C5	C4	H13	108.125	H7	C1	H8	108.647
H7	C1	H9	108.647	H8	C1	H9	108.399
H10	C2	H11	107.664	H12	C4	H13	107.960

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: G2

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: G2

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)