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	hartrees
Energy at 0K	-285.021373
Energy at 298.15K	-285.029111
HF Energy	-285.021373
Nuclear repulsion energy	217.239719

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3100	3042	8.43
2	A'	3009	2952	6.84
3	A'	2890	2836	53.92
4	A'	2878	2824	22.36
5	A'	2343	2299	0.78
6	A'	1493	1465	6.79
7	A'	1463	1435	1.56
8	A'	1450	1422	10.71
9	A'	1407	1381	15.56
10	A'	1363	1338	23.00
11	A'	1333	1308	44.19
12	A'	1205	1183	196.46
13	A'	1141	1120	19.20
14	A'	1074	1054	22.70
15	A'	964	946	1.42
16	A'	903	886	3.23
17	A'	554	543	1.14
18	A'	423	415	1.02
19	A'	298	292	2.09
20	A'	130	127	3.28
21	A"	3097	3039	9.71
22	A"	2919	2864	30.89
23	A"	2894	2840	48.39
24	A"	1442	1415	9.75
25	A"	1259	1236	2.62
26	A"	1215	1192	5.73
27	A"	1157	1136	7.22
28	A"	998	979	0.06
29	A"	805	790	2.22
30	A"	379	372	1.20
31	A"	252	248	0.19
32	A"	123	120	5.61
33	A"	83	82	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-1.069	2.468	0.000
C2	-1.266	0.983	0.000
O3	0.000	0.373	0.000
C4	-0.121	-1.012	0.000
C5	1.195	-1.623	0.000
N6	2.239	-2.140	0.000
H7	-2.041	2.987	0.000
H8	-0.504	2.782	0.893
H9	-0.504	2.782	-0.893
H10	-1.845	0.654	-0.895
H11	-1.845	0.654	0.895
H12	-0.684	-1.378	-0.892
H13	-0.684	-1.378	0.892

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.4983	2.3523	3.6067	4.6760	5.6729	1.1021	1.1023	1.1023	2.1661	2.1661	3.9667	3.9667
C2	1.4983		1.4049	2.2996	3.5840	4.6943	2.1495	2.1480	2.1480	1.1153	1.1153	2.5896	2.5896
O3	2.3523	1.4049		1.3898	2.3264	3.3659	3.3170	2.6182	2.6182	2.0697	2.0697	2.0806	2.0806
C4	3.6067	2.2996	1.3898		1.4507	2.6160	4.4363	3.9160	3.9160	2.5590	2.5590	1.1170	1.1170
C5	4.6760	3.5840	2.3264	1.4507		1.1655	5.6330	4.8053	4.8053	3.9023	3.9023	2.0944	2.0944
N6	5.6729	4.6943	3.3659	2.6160	1.1655		6.6794	5.7054	5.7054	5.0290	5.0290	3.1503	3.1503
H7	1.1021	2.1495	3.3170	4.4363	5.6330	6.6794		1.7894	1.7894	2.5064	2.5064	4.6575	4.6575
H8	1.1023	2.1480	2.6182	3.9160	4.8053	5.7054	1.7894		1.7859	3.0854	2.5148	4.5301	4.1635
H9	1.1023	2.1480	2.6182	3.9160	4.8053	5.7054	1.7894	1.7859		2.5148	3.0854	4.1635	4.5301
H10	2.1661	1.1153	2.0697	2.5590	3.9023	5.0290	2.5064	3.0854	2.5148		1.7891	2.3402	2.9445
H11	2.1661	1.1153	2.0697	2.5590	3.9023	5.0290	2.5064	2.5148	3.0854	1.7891		2.9445	2.3402
H12	3.9667	2.5896	2.0806	1.1170	2.0944	3.1503	4.6575	4.5301	4.1635	2.3402	2.9445		1.7848
H13	3.9667	2.5896	2.0806	1.1170	2.0944	3.1503	4.6575	4.1635	4.5301	2.9445	2.3402	1.7848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.197	C1	C2	H10	111.106
C1	C2	H11	111.106	C2	C1	H7	110.579
C2	C1	H8	110.452	C2	C1	H9	110.452
C2	O3	C4	110.741	O3	C2	H10	109.887
O3	C2	H11	109.887	O3	C4	C5	109.954
O3	C4	H12	111.735	O3	C4	H13	111.735
C4	C5	N6	178.626	C5	C4	H12	108.608
C5	C4	H13	108.608	H7	C1	H8	108.536
H7	C1	H9	108.536	H8	C1	H9	108.214
H10	C2	H11	106.658	H12	C4	H13	106.054

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)