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	hartrees
Energy at 0K	-286.272548
Energy at 298.15K	-286.280359
HF Energy	-286.272548
Nuclear repulsion energy	216.597983

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3024	16.83
2	A'	3080	2940	11.68
3	A'	2999	2862	61.69
4	A'	2992	2855	15.61
5	A'	2411	2301	0.71
6	A'	1542	1472	4.15
7	A'	1511	1442	1.31
8	A'	1505	1436	7.61
9	A'	1459	1393	10.16
10	A'	1414	1350	21.07
11	A'	1386	1323	57.61
12	A'	1202	1147	208.49
13	A'	1164	1111	20.57
14	A'	1075	1026	17.57
15	A'	971	926	6.03
16	A'	917	875	4.00
17	A'	565	540	1.02
18	A'	427	407	1.11
19	A'	304	290	2.25
20	A'	133	127	3.34
21	A"	3173	3028	17.86
22	A"	3033	2894	15.22
23	A"	3025	2887	64.38
24	A"	1492	1424	6.43
25	A"	1309	1249	2.49
26	A"	1263	1205	3.74
27	A"	1193	1139	6.99
28	A"	1035	988	0.71
29	A"	829	791	1.03
30	A"	384	367	1.72
31	A"	249	238	0.33
32	A"	116	110	6.55
33	A"	78	75	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.955	2.528	0.000
C2	-1.239	1.045	0.000
O3	0.000	0.360	0.000
C4	-0.172	-1.027	0.000
C5	1.139	-1.679	0.000
N6	2.160	-2.223	0.000
H7	-1.891	3.093	0.000
H8	-0.379	2.807	0.886
H9	-0.379	2.807	-0.886
H10	-1.827	0.759	-0.887
H11	-1.827	0.759	0.887
H12	-0.729	-1.373	-0.887
H13	-0.729	-1.373	0.887

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5099	2.3690	3.6402	4.6989	5.6815	1.0934	1.0928	1.0928	2.1633	2.1633	4.0072	4.0072
C2	1.5099		1.4157	2.3306	3.6155	4.7157	2.1494	2.1515	2.1515	1.1027	1.1027	2.6257	2.6257
O3	2.3690	1.4157		1.3975	2.3351	3.3676	3.3235	2.6302	2.6302	2.0703	2.0703	2.0790	2.0790
C4	3.6402	2.3306	1.3975		1.4638	2.6213	4.4644	3.9406	3.9406	2.5917	2.5917	1.1032	1.1032
C5	4.6989	3.6155	2.3351	1.4638		1.1578	5.6524	4.8179	4.8179	3.9404	3.9404	2.0903	2.0903
N6	5.6815	4.7157	3.3676	2.6213	1.1578		6.6842	5.7045	5.7045	5.0580	5.0580	3.1401	3.1401
H7	1.0934	2.1494	3.3235	4.4644	5.6524	6.6842		1.7752	1.7752	2.4984	2.4984	4.6995	4.6995
H8	1.0928	2.1515	2.6302	3.9406	4.8179	5.7045	1.7752		1.7723	3.0723	2.5086	4.5543	4.1950
H9	1.0928	2.1515	2.6302	3.9406	4.8179	5.7045	1.7752	1.7723		2.5086	3.0723	4.1950	4.5543
H10	2.1633	1.1027	2.0703	2.5917	3.9404	5.0580	2.4984	3.0723	2.5086		1.7750	2.3981	2.9831
H11	2.1633	1.1027	2.0703	2.5917	3.9404	5.0580	2.4984	2.5086	3.0723	1.7750		2.9831	2.3981
H12	4.0072	2.6257	2.0790	1.1032	2.0903	3.1401	4.6995	4.5543	4.1950	2.3981	2.9831		1.7734
H13	4.0072	2.6257	2.0790	1.1032	2.0903	3.1401	4.6995	4.1950	4.5543	2.9831	2.3981	1.7734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.100	C1	C2	H10	110.822
C1	C2	H11	110.822	C2	C1	H7	110.283
C2	C1	H8	110.480	C2	C1	H9	110.480
C2	O3	C4	111.879	O3	C2	H10	109.961
O3	C2	H11	109.961	O3	C4	C5	109.373
O3	C4	H12	111.947	O3	C4	H13	111.947
C4	C5	N6	178.378	C5	C4	H12	108.223
C5	C4	H13	108.223	H7	C1	H8	108.586
H7	C1	H9	108.586	H8	C1	H9	108.364
H10	C2	H11	107.181	H12	C4	H13	106.982

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: HSEh1PBE/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: HSEh1PBE/6-31G**

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)