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	hartrees
Energy at 0K	-286.600008
Energy at 298.15K	-286.607741
HF Energy	-286.600008
Nuclear repulsion energy	215.303420

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3124	3012	21.87
2	A'	3052	2942	16.25
3	A'	2985	2878	67.61
4	A'	2977	2871	22.24
5	A'	2369	2284	0.77
6	A'	1530	1475	3.93
7	A'	1505	1451	1.97
8	A'	1499	1445	6.58
9	A'	1447	1395	8.20
10	A'	1412	1362	12.62
11	A'	1382	1333	59.16
12	A'	1153	1111	159.12
13	A'	1141	1100	82.61
14	A'	1040	1003	19.18
15	A'	953	919	9.52
16	A'	896	864	6.65
17	A'	553	533	0.81
18	A'	419	404	1.26
19	A'	299	288	2.18
20	A'	133	128	3.33
21	A"	3134	3022	23.25
22	A"	3014	2906	4.58
23	A"	3008	2901	68.88
24	A"	1488	1435	7.81
25	A"	1301	1254	3.06
26	A"	1256	1211	3.53
27	A"	1183	1141	6.88
28	A"	1028	991	1.47
29	A"	827	797	0.55
30	A"	369	356	1.33
31	A"	242	234	0.33
32	A"	112	108	7.86
33	A"	76	73	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.931	2.559	0.000
C2	-1.239	1.073	0.000
O3	0.000	0.358	0.000
C4	-0.182	-1.040	0.000
C5	1.130	-1.703	0.000
N6	2.147	-2.261	0.000
H7	-1.863	3.134	0.000
H8	-0.354	2.833	0.887
H9	-0.354	2.833	-0.887
H10	-1.825	0.793	-0.890
H11	-1.825	0.793	0.890
H12	-0.740	-1.376	-0.889
H13	-0.740	-1.376	0.889

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5179	2.3901	3.6766	4.7346	5.7192	1.0950	1.0938	1.0938	2.1702	2.1702	4.0391	4.0391
C2	1.5179		1.4300	2.3625	3.6490	4.7515	2.1537	2.1611	2.1611	1.1020	1.1020	2.6526	2.6526
O3	2.3901	1.4300		1.4100	2.3505	3.3865	3.3433	2.6533	2.6533	2.0766	2.0766	2.0846	2.0846
C4	3.6766	2.3625	1.4100		1.4698	2.6297	4.5000	3.9777	3.9777	2.6180	2.6180	1.1024	1.1024
C5	4.7346	3.6490	2.3505	1.4698		1.1603	5.6882	4.8547	4.8547	3.9694	3.9694	2.0963	2.0963
N6	5.7192	4.7515	3.3865	2.6297	1.1603		6.7221	5.7439	5.7439	5.0891	5.0891	3.1481	3.1481
H7	1.0950	2.1537	3.3433	4.5000	5.6882	6.7221		1.7768	1.7768	2.5044	2.5044	4.7320	4.7320
H8	1.0938	2.1611	2.6533	3.9777	4.8547	5.7439	1.7768		1.7750	3.0801	2.5153	4.5854	4.2271
H9	1.0938	2.1611	2.6533	3.9777	4.8547	5.7439	1.7768	1.7750		2.5153	3.0801	4.2271	4.5854
H10	2.1702	1.1020	2.0766	2.6180	3.9694	5.0891	2.5044	3.0801	2.5153		1.7802	2.4255	3.0083
H11	2.1702	1.1020	2.0766	2.6180	3.9694	5.0891	2.5044	2.5153	3.0801	1.7802		3.0083	2.4255
H12	4.0391	2.6526	2.0846	1.1024	2.0963	3.1481	4.7320	4.5854	4.2271	2.4255	3.0083		1.7788
H13	4.0391	2.6526	2.0846	1.1024	2.0963	3.1481	4.7320	4.2271	4.5854	3.0083	2.4255	1.7788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.309	C1	C2	H10	110.862
C1	C2	H11	110.862	C2	C1	H7	109.971
C2	C1	H8	110.631	C2	C1	H9	110.631
C2	O3	C4	112.576	O3	C2	H10	109.522
O3	C2	H11	109.522	O3	C4	C5	109.396
O3	C4	H12	111.554	O3	C4	H13	111.554
C4	C5	N6	178.092	C5	C4	H12	108.325
C5	C4	H13	108.325	H7	C1	H8	108.542
H7	C1	H9	108.542	H8	C1	H9	108.462
H10	C2	H11	107.751	H12	C4	H13	107.574

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: B3LYP/6-31+G**

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: B3LYP/6-31+G**

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)