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	hartrees
Energy at 0K	-284.927948
Energy at 298.15K	-284.935621
HF Energy	-284.927948
Nuclear repulsion energy	215.130199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3104	3041	10.78
2	A'	3007	2946	7.59
3	A'	2904	2845	50.47
4	A'	2893	2834	23.96
5	A'	2301	2254	0.69
6	A'	1506	1475	7.93
7	A'	1483	1453	5.24
8	A'	1469	1439	12.78
9	A'	1411	1382	19.70
10	A'	1392	1364	10.45
11	A'	1336	1309	28.57
12	A'	1145	1122	59.51
13	A'	1129	1106	118.68
14	A'	1043	1022	20.91
15	A'	972	952	4.36
16	A'	881	863	8.06
17	A'	550	539	0.46
18	A'	418	410	1.37
19	A'	288	282	1.79
20	A'	125	123	2.59
21	A"	3107	3044	12.36
22	A"	2942	2882	38.03
23	A"	2917	2858	43.69
24	A"	1461	1431	12.68
25	A"	1260	1235	0.50
26	A"	1208	1183	4.27
27	A"	1160	1136	9.59
28	A"	1005	985	0.05
29	A"	828	811	3.73
30	A"	373	365	0.18
31	A"	235	230	0.38
32	A"	114	112	8.09
33	A"	76	74	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	-1.020	2.504	0.000
C2	-1.281	1.028	0.000
O3	0.000	0.368	0.000
C4	-0.140	-1.053	0.000
C5	1.169	-1.662	0.000
N6	2.234	-2.161	0.000
H7	-1.968	3.068	0.000
H8	-0.440	2.791	0.893
H9	-0.440	2.791	-0.893
H10	-1.864	0.716	-0.897
H11	-1.864	0.716	0.897
H12	-0.712	-1.400	-0.893
H13	-0.712	-1.400	0.893

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.4989	2.3664	3.6635	4.7060	5.6875	1.1029	1.1024	1.1024	2.1705	2.1705	4.0165	4.0165
C2	1.4989		1.4409	2.3726	3.6386	4.7458	2.1531	2.1475	2.1475	1.1140	1.1140	2.6488	2.6488
O3	2.3664	1.4409		1.4281	2.3431	3.3746	3.3408	2.6186	2.6186	2.0975	2.0975	2.1052	2.1052
C4	3.6635	2.3726	1.4281		1.4444	2.6201	4.5079	3.9569	3.9569	2.6275	2.6275	1.1154	1.1154
C5	4.7060	3.6386	2.3431	1.4444		1.1757	5.6759	4.8180	4.8180	3.9572	3.9572	2.0983	2.0983
N6	5.6875	4.7458	3.3746	2.6201	1.1757		6.7080	5.6978	5.6978	5.0865	5.0865	3.1704	3.1704
H7	1.1029	2.1531	3.3408	4.5079	5.6759	6.7080		1.7906	1.7906	2.5195	2.5195	4.7268	4.7268
H8	1.1024	2.1475	2.6186	3.9569	4.8180	5.6978	1.7906		1.7851	3.0874	2.5159	4.5633	4.1995
H9	1.1024	2.1475	2.6186	3.9569	4.8180	5.6978	1.7906	1.7851		2.5159	3.0874	4.1995	4.5633
H10	2.1705	1.1140	2.0975	2.6275	3.9572	5.0865	2.5195	3.0874	2.5159		1.7939	2.4097	3.0016
H11	2.1705	1.1140	2.0975	2.6275	3.9572	5.0865	2.5195	2.5159	3.0874	1.7939		3.0016	2.4097
H12	4.0165	2.6488	2.1052	1.1154	2.0983	3.1704	4.7268	4.5633	4.1995	2.4097	3.0016		1.7855
H13	4.0165	2.6488	2.1052	1.1154	2.0983	3.1704	4.7268	4.1995	4.5633	3.0016	2.4097	1.7855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.193	C1	C2	H10	111.494
C1	C2	H11	111.494	C2	C1	H7	110.771
C2	C1	H8	110.360	C2	C1	H9	110.360
C2	O3	C4	111.581	O3	C2	H10	109.704
O3	C2	H11	109.704	O3	C4	C5	109.314
O3	C4	H12	111.126	O3	C4	H13	111.126
C4	C5	N6	179.844	C5	C4	H12	109.444
C5	C4	H13	109.444	H7	C1	H8	108.577
H7	C1	H9	108.577	H8	C1	H9	108.122
H10	C2	H11	107.254	H12	C4	H13	106.333

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)