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	hartrees
Energy at 0K	-286.473322
Energy at 298.15K	-286.481097
HF Energy	-286.473322
Nuclear repulsion energy	216.141816

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3154	3023	18.14
2	A'	3069	2941	12.62
3	A'	2987	2863	65.76
4	A'	2979	2855	14.95
5	A'	2390	2291	0.59
6	A'	1539	1475	3.93
7	A'	1509	1447	1.43
8	A'	1502	1439	7.64
9	A'	1454	1393	10.10
10	A'	1412	1353	16.59
11	A'	1382	1324	59.34
12	A'	1184	1135	208.35
13	A'	1156	1108	21.29
14	A'	1062	1018	17.28
15	A'	963	923	6.51
16	A'	910	872	4.19
17	A'	561	537	0.97
18	A'	423	405	1.13
19	A'	301	289	2.23
20	A'	133	127	3.28
21	A"	3160	3029	19.22
22	A"	3020	2894	19.91
23	A"	3011	2886	62.94
24	A"	1491	1429	6.21
25	A"	1305	1250	2.34
26	A"	1258	1206	3.57
27	A"	1188	1139	6.86
28	A"	1032	989	0.71
29	A"	827	793	1.06
30	A"	380	365	1.65
31	A"	247	237	0.33
32	A"	114	109	6.59
33	A"	76	73	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.951	2.537	0.000
C2	-1.240	1.052	0.000
O3	0.000	0.360	0.000
C4	-0.174	-1.031	0.000
C5	1.138	-1.685	0.000
N6	2.160	-2.233	0.000
H7	-1.886	3.104	0.000
H8	-0.375	2.816	0.886
H9	-0.375	2.816	-0.886
H10	-1.830	0.768	-0.888
H11	-1.830	0.768	0.888
H12	-0.732	-1.377	-0.887
H13	-0.732	-1.377	0.887

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5131	2.3759	3.6514	4.7106	5.6946	1.0939	1.0932	1.0932	2.1656	2.1656	4.0192	4.0192
C2	1.5131		1.4198	2.3393	3.6254	4.7272	2.1519	2.1553	2.1553	1.1029	1.1029	2.6351	2.6351
O3	2.3759	1.4198		1.4013	2.3401	3.3744	3.3302	2.6379	2.6379	2.0741	2.0741	2.0829	2.0829
C4	3.6514	2.3393	1.4013		1.4659	2.6253	4.4754	3.9524	3.9524	2.6008	2.6008	1.1035	1.1035
C5	4.7106	3.6254	2.3401	1.4659		1.1597	5.6642	4.8304	4.8304	3.9511	3.9511	2.0921	2.0921
N6	5.6946	4.7272	3.3744	2.6253	1.1597		6.6974	5.7184	5.7184	5.0704	5.0704	3.1434	3.1434
H7	1.0939	2.1519	3.3302	4.4754	5.6642	6.6974		1.7756	1.7756	2.4998	2.4998	4.7118	4.7118
H8	1.0932	2.1553	2.6379	3.9524	4.8304	5.7184	1.7756		1.7730	3.0751	2.5117	4.5663	4.2078
H9	1.0932	2.1553	2.6379	3.9524	4.8304	5.7184	1.7756	1.7730		2.5117	3.0751	4.2078	4.5663
H10	2.1656	1.1029	2.0741	2.6008	3.9511	5.0704	2.4998	3.0751	2.5117		1.7755	2.4096	2.9926
H11	2.1656	1.1029	2.0741	2.6008	3.9511	5.0704	2.4998	2.5117	3.0751	1.7755		2.9926	2.4096
H12	4.0192	2.6351	2.0829	1.1035	2.0921	3.1434	4.7118	4.5663	4.2078	2.4096	2.9926		1.7741
H13	4.0192	2.6351	2.0829	1.1035	2.0921	3.1434	4.7118	4.2078	4.5663	2.9926	2.4096	1.7741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.162	C1	C2	H10	110.770
C1	C2	H11	110.770	C2	C1	H7	110.222
C2	C1	H8	110.536	C2	C1	H9	110.536
C2	O3	C4	112.036	O3	C2	H10	109.971
O3	C2	H11	109.971	O3	C4	C5	109.383
O3	C4	H12	111.967	O3	C4	H13	111.967
C4	C5	N6	178.340	C5	C4	H12	108.190
C5	C4	H13	108.190	H7	C1	H8	108.553
H7	C1	H9	108.553	H8	C1	H9	108.376
H10	C2	H11	107.202	H12	C4	H13	106.993

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: B3PW91/6-31G**

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: B3PW91/6-31G**

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)