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	hartrees
Energy at 0K	-285.029429
Energy at 298.15K	-285.037162
HF Energy	-285.029429
Nuclear repulsion energy	217.253055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3101	3043	7.45
2	A'	3006	2950	6.44
3	A'	2884	2830	53.05
4	A'	2873	2819	22.86
5	A'	2342	2298	0.84
6	A'	1477	1449	7.02
7	A'	1446	1419	1.44
8	A'	1432	1405	10.14
9	A'	1395	1369	15.14
10	A'	1348	1323	24.05
11	A'	1320	1295	41.76
12	A'	1203	1180	195.79
13	A'	1135	1114	19.94
14	A'	1071	1051	22.03
15	A'	961	943	1.09
16	A'	898	881	3.04
17	A'	553	542	1.08
18	A'	422	414	1.00
19	A'	297	292	2.06
20	A'	129	127	3.31
21	A"	3098	3041	8.77
22	A"	2916	2861	30.02
23	A"	2891	2837	45.55
24	A"	1425	1398	8.99
25	A"	1249	1226	2.64
26	A"	1203	1181	5.72
27	A"	1148	1126	6.84
28	A"	986	967	0.05
29	A"	799	784	2.28
30	A"	378	371	1.15
31	A"	250	245	0.19
32	A"	122	120	5.61
33	A"	82	81	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-1.074	2.466	0.000
C2	-1.267	0.981	0.000
O3	0.000	0.374	0.000
C4	-0.118	-1.011	0.000
C5	1.197	-1.622	0.000
N6	2.242	-2.139	0.000
H7	-2.046	2.984	0.000
H8	-0.510	2.781	0.892
H9	-0.510	2.781	-0.892
H10	-1.847	0.652	-0.894
H11	-1.847	0.652	0.894
H12	-0.679	-1.381	-0.892
H13	-0.679	-1.381	0.892

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.4975	2.3522	3.6067	4.6766	5.6746	1.1011	1.1013	1.1013	2.1650	2.1650	3.9689	3.9689
C2	1.4975		1.4053	2.3003	3.5845	4.6954	2.1484	2.1467	2.1467	1.1150	1.1150	2.5925	2.5925
O3	2.3522	1.4053		1.3900	2.3270	3.3671	3.3163	2.6177	2.6177	2.0705	2.0705	2.0820	2.0820
C4	3.6067	2.3003	1.3900		1.4497	2.6150	4.4359	3.9157	3.9157	2.5603	2.5603	1.1167	1.1167
C5	4.6766	3.5845	2.3270	1.4497		1.1655	5.6327	4.8060	4.8060	3.9031	3.9031	2.0912	2.0912
N6	5.6746	4.6954	3.3671	2.6150	1.1655		6.6800	5.7075	5.7075	5.0302	5.0302	3.1465	3.1465
H7	1.1011	2.1484	3.3163	4.4359	5.6327	6.6800		1.7876	1.7876	2.5048	2.5048	4.6596	4.6596
H8	1.1013	2.1467	2.6177	3.9157	4.8060	5.7075	1.7876		1.7842	3.0835	2.5138	4.5314	4.1654
H9	1.1013	2.1467	2.6177	3.9157	4.8060	5.7075	1.7876	1.7842		2.5138	3.0835	4.1654	4.5314
H10	2.1650	1.1150	2.0705	2.5603	3.9031	5.0302	2.5048	3.0835	2.5138		1.7875	2.3445	2.9470
H11	2.1650	1.1150	2.0705	2.5603	3.9031	5.0302	2.5048	2.5138	3.0835	1.7875		2.9470	2.3445
H12	3.9689	2.5925	2.0820	1.1167	2.0912	3.1465	4.6596	4.5314	4.1654	2.3445	2.9470		1.7838
H13	3.9689	2.5925	2.0820	1.1167	2.0912	3.1465	4.6596	4.1654	4.5314	2.9470	2.3445	1.7838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.212	C1	C2	H10	111.087
C1	C2	H11	111.087	C2	C1	H7	110.612
C2	C1	H8	110.458	C2	C1	H9	110.458
C2	O3	C4	110.755	O3	C2	H10	109.945
O3	C2	H11	109.945	O3	C4	C5	110.045
O3	C4	H12	111.859	O3	C4	H13	111.859
C4	C5	N6	178.579	C5	C4	H12	108.450
C5	C4	H13	108.450	H7	C1	H8	108.518
H7	C1	H9	108.518	H8	C1	H9	108.203
H10	C2	H11	106.565	H12	C4	H13	106.010

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: LSDA/6-31G**

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**

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)