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	hartrees
Energy at 0K	-283.462774
Energy at 298.15K	-283.470594
HF Energy	-283.462774
Nuclear repulsion energy	215.433673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3095	3040	6.87
2	A'	3008	2954	4.24
3	A'	2894	2842	40.39
4	A'	2877	2825	21.82
5	A'	2327	2285	0.11
6	A'	1526	1499	7.89
7	A'	1505	1478	4.71
8	A'	1490	1464	14.38
9	A'	1407	1382	9.07
10	A'	1397	1372	20.79
11	A'	1326	1302	30.29
12	A'	1144	1124	97.60
13	A'	1108	1088	75.17
14	A'	1027	1008	14.09
15	A'	965	948	3.95
16	A'	885	869	5.86
17	A'	590	580	0.92
18	A'	414	407	1.38
19	A'	303	298	1.85
20	A'	128	126	2.09
21	A"	3095	3040	8.31
22	A"	2923	2870	38.91
23	A"	2889	2837	35.64
24	A"	1481	1455	12.40
25	A"	1271	1248	0.00
26	A"	1222	1200	1.74
27	A"	1159	1138	9.37
28	A"	1025	1006	0.00
29	A"	843	827	4.33
30	A"	461	452	0.01
31	A"	235	231	0.33
32	A"	123	121	6.10
33	A"	76	74	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	-1.106	2.458	0.000
C2	-1.319	0.966	0.000
O3	0.000	0.375	0.000
C4	-0.108	-1.056	0.000
C5	1.222	-1.614	0.000
N6	2.301	-2.061	0.000
H7	-2.070	2.993	0.000
H8	-0.530	2.749	0.894
H9	-0.530	2.749	-0.894
H10	-1.893	0.641	-0.898
H11	-1.893	0.641	0.898
H12	-0.663	-1.431	-0.893
H13	-0.663	-1.431	0.893

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5064	2.3582	3.6524	4.6904	5.6591	1.1026	1.1024	1.1024	2.1736	2.1736	4.0143	4.0143
C2	1.5064		1.4456	2.3571	3.6217	4.7190	2.1613	2.1443	2.1443	1.1142	1.1142	2.6410	2.6410
O3	2.3582	1.4456		1.4346	2.3345	3.3508	3.3376	2.5913	2.5913	2.1123	2.1123	2.1209	2.1209
C4	3.6524	2.3571	1.4346		1.4424	2.6101	4.4992	3.9307	3.9307	2.6220	2.6220	1.1169	1.1169
C5	4.6904	3.6217	2.3345	1.4424		1.1677	5.6626	4.7858	4.7858	3.9498	3.9498	2.0944	2.0944
N6	5.6591	4.7190	3.3508	2.6101	1.1677		6.6819	5.6521	5.6521	5.0697	5.0697	3.1594	3.1594
H7	1.1026	2.1613	3.3376	4.4992	5.6626	6.6819		1.7971	1.7971	2.5234	2.5234	4.7273	4.7273
H8	1.1024	2.1443	2.5913	3.9307	4.7858	5.6521	1.7971		1.7877	3.0836	2.5097	4.5475	4.1816
H9	1.1024	2.1443	2.5913	3.9307	4.7858	5.6521	1.7971	1.7877		2.5097	3.0836	4.1816	4.5475
H10	2.1736	1.1142	2.1123	2.6220	3.9498	5.0697	2.5234	3.0836	2.5097		1.7957	2.4099	3.0027
H11	2.1736	1.1142	2.1123	2.6220	3.9498	5.0697	2.5234	2.5097	3.0836	1.7957		3.0027	2.4099
H12	4.0143	2.6410	2.1209	1.1169	2.0944	3.1594	4.7273	4.5475	4.1816	2.4099	3.0027		1.7868
H13	4.0143	2.6410	2.1209	1.1169	2.0944	3.1594	4.7273	4.1816	4.5475	3.0027	2.4099	1.7868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.025	C1	C2	H10	111.194
C1	C2	H11	111.194	C2	C1	H7	110.923
C2	C1	H8	109.585	C2	C1	H9	109.585
C2	O3	C4	109.847	O3	C2	H10	110.548
O3	C2	H11	110.548	O3	C4	C5	108.470
O3	C4	H12	111.853	O3	C4	H13	111.853
C4	C5	N6	179.718	C5	C4	H12	109.179
C5	C4	H13	109.179	H7	C1	H8	109.174
H7	C1	H9	109.174	H8	C1	H9	108.356
H10	C2	H11	107.376	H12	C4	H13	106.247

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: LSDA/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)