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	hartrees
Energy at 0K	-286.217924
Energy at 298.15K	-286.225584
HF Energy	-286.217924
Nuclear repulsion energy	214.717751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3082	3038	17.18
2	A'	3002	2960	12.22
3	A'	2903	2862	66.78
4	A'	2891	2849	19.82
5	A'	2294	2262	0.25
6	A'	1510	1489	3.25
7	A'	1483	1462	1.60
8	A'	1472	1451	8.64
9	A'	1414	1394	12.20
10	A'	1380	1361	8.49
11	A'	1344	1324	60.46
12	A'	1134	1118	119.03
13	A'	1116	1100	100.01
14	A'	1028	1014	17.70
15	A'	939	926	4.39
16	A'	884	871	5.72
17	A'	543	535	0.79
18	A'	413	408	1.00
19	A'	293	289	1.89
20	A'	129	127	2.96
21	A"	3087	3043	19.01
22	A"	2931	2889	39.63
23	A"	2911	2869	52.39
24	A"	1466	1445	6.67
25	A"	1269	1251	1.68
26	A"	1221	1204	3.51
27	A"	1160	1143	6.48
28	A"	1007	992	0.50
29	A"	811	799	1.21
30	A"	370	365	1.19
31	A"	247	243	0.23
32	A"	116	114	5.76
33	A"	79	78	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-1.036	2.521	0.000
C2	-1.274	1.020	0.000
O3	0.000	0.369	0.000
C4	-0.143	-1.037	0.000
C5	1.188	-1.663	0.000
N6	2.236	-2.189	0.000
H7	-1.999	3.058	0.000
H8	-0.466	2.822	0.894
H9	-0.466	2.822	-0.894
H10	-1.859	0.711	-0.895
H11	-1.859	0.711	0.895
H12	-0.702	-1.397	-0.894
H13	-0.702	-1.397	0.894

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5198	2.3880	3.6684	4.7377	5.7342	1.1028	1.1020	1.1020	2.1803	2.1803	4.0324	4.0324
C2	1.5198		1.4308	2.3477	3.6410	4.7552	2.1635	2.1681	2.1681	1.1128	1.1128	2.6396	2.6396
O3	2.3880	1.4308		1.4138	2.3535	3.3970	3.3507	2.6520	2.6520	2.0911	2.0911	2.1005	2.1005
C4	3.6684	2.3477	1.4138		1.4701	2.6423	4.4966	3.9748	3.9748	2.6079	2.6079	1.1142	1.1142
C5	4.7377	3.6410	2.3535	1.4701		1.1723	5.6958	4.8630	4.8630	3.9641	3.9641	2.1074	2.1074
N6	5.7342	4.7552	3.3970	2.6423	1.1723		6.7424	5.7625	5.7625	5.0959	5.0959	3.1710	3.1710
H7	1.1028	2.1635	3.3507	4.4966	5.6958	6.7424		1.7899	1.7899	2.5164	2.5164	4.7256	4.7256
H8	1.1020	2.1681	2.6520	3.9748	4.8630	5.7625	1.7899		1.7875	3.0980	2.5291	4.5885	4.2259
H9	1.1020	2.1681	2.6520	3.9748	4.8630	5.7625	1.7899	1.7875		2.5291	3.0980	4.2259	4.5885
H10	2.1803	1.1128	2.0911	2.6079	3.9641	5.0959	2.5164	3.0980	2.5291		1.7907	2.4042	2.9969
H11	2.1803	1.1128	2.0911	2.6079	3.9641	5.0959	2.5164	2.5291	3.0980	1.7907		2.9969	2.4042
H12	4.0324	2.6396	2.1005	1.1142	2.1074	3.1710	4.7256	4.5885	4.2259	2.4042	2.9969		1.7876
H13	4.0324	2.6396	2.1005	1.1142	2.1074	3.1710	4.7256	4.2259	4.5885	2.9969	2.4042	1.7876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.022	C1	C2	H10	110.885
C1	C2	H11	110.885	C2	C1	H7	110.156
C2	C1	H8	110.563	C2	C1	H9	110.563
C2	O3	C4	111.241	O3	C2	H10	109.957
O3	C2	H11	109.957	O3	C4	C5	109.375
O3	C4	H12	111.844	O3	C4	H13	111.844
C4	C5	N6	178.520	C5	C4	H12	108.482
C5	C4	H13	108.482	H7	C1	H8	108.552
H7	C1	H9	108.552	H8	C1	H9	108.390
H10	C2	H11	107.142	H12	C4	H13	106.687

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

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

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)