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	hartrees
Energy at 0K	-285.051576
Energy at 298.15K	-285.059261
HF Energy	-285.051576
Nuclear repulsion energy	216.946268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3086	3051	7.16
2	A'	2991	2957	7.50
3	A'	2889	2856	54.07
4	A'	2880	2848	24.81
5	A'	2320	2294	1.20
6	A'	1428	1412	8.83
7	A'	1402	1386	2.34
8	A'	1387	1371	8.79
9	A'	1364	1349	9.34
10	A'	1315	1300	25.04
11	A'	1288	1274	24.52
12	A'	1183	1169	201.99
13	A'	1119	1107	16.21
14	A'	1067	1055	27.01
15	A'	958	947	0.57
16	A'	884	874	3.48
17	A'	545	539	0.90
18	A'	419	414	0.91
19	A'	293	289	2.19
20	A'	128	126	3.58
21	A"	3084	3049	9.02
22	A"	2925	2892	21.11
23	A"	2905	2872	35.12
24	A"	1381	1366	9.48
25	A"	1229	1215	2.53
26	A"	1182	1169	4.90
27	A"	1123	1110	5.97
28	A"	962	951	0.16
29	A"	784	775	1.77
30	A"	361	357	0.97
31	A"	236	233	0.06
32	A"	123	122	5.98
33	A"	83	82	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-1.102	2.461	0.000
C2	-1.277	0.974	0.000
O3	0.000	0.376	0.000
C4	-0.106	-1.013	0.000
C5	1.214	-1.613	0.000
N6	2.259	-2.128	0.000
H7	-2.088	2.961	0.000
H8	-0.543	2.786	0.897
H9	-0.543	2.786	-0.897
H10	-1.846	0.632	-0.899
H11	-1.846	0.632	0.899
H12	-0.664	-1.380	-0.898
H13	-0.664	-1.380	0.898

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.4970	2.3580	3.6138	4.6857	5.6877	1.1057	1.1058	1.1058	2.1687	2.1687	3.9681	3.9681
C2	1.4970		1.4097	2.3063	3.5907	4.7033	2.1464	2.1510	2.1510	1.1174	1.1174	2.5925	2.5925
O3	2.3580	1.4097		1.3930	2.3299	3.3722	3.3230	2.6286	2.6286	2.0688	2.0688	2.0805	2.0805
C4	3.6138	2.3063	1.3930		1.4494	2.6144	4.4410	3.9283	3.9283	2.5580	2.5580	1.1190	1.1190
C5	4.6857	3.5907	2.3299	1.4494		1.1653	5.6411	4.8212	4.8212	3.8999	3.8999	2.0942	2.0942
N6	5.6877	4.7033	3.3722	2.6144	1.1653		6.6927	5.7276	5.7276	5.0275	5.0275	3.1479	3.1479
H7	1.1057	2.1464	3.3230	4.4410	5.6411	6.6927		1.7947	1.7947	2.5078	2.5078	4.6558	4.6558
H8	1.1058	2.1510	2.6286	3.9283	4.8212	5.7276	1.7947		1.7941	3.0920	2.5168	4.5377	4.1675
H9	1.1058	2.1510	2.6286	3.9283	4.8212	5.7276	1.7947	1.7941		2.5168	3.0920	4.1675	4.5377
H10	2.1687	1.1174	2.0688	2.5580	3.8999	5.0275	2.5078	3.0920	2.5168		1.7979	2.3335	2.9453
H11	2.1687	1.1174	2.0688	2.5580	3.8999	5.0275	2.5078	2.5168	3.0920	1.7979		2.9453	2.3335
H12	3.9681	2.5925	2.0805	1.1190	2.0942	3.1479	4.6558	4.5377	4.1675	2.3335	2.9453		1.7963
H13	3.9681	2.5925	2.0805	1.1190	2.0942	3.1479	4.6558	4.1675	4.5377	2.9453	2.3335	1.7963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.403	C1	C2	H10	111.277
C1	C2	H11	111.277	C2	C1	H7	110.210
C2	C1	H8	110.571	C2	C1	H9	110.571
C2	O3	C4	110.748	O3	C2	H10	109.363
O3	C2	H11	109.363	O3	C4	C5	110.089
O3	C4	H12	111.370	O3	C4	H13	111.370
C4	C5	N6	178.226	C5	C4	H12	108.563
C5	C4	H13	108.563	H7	C1	H8	108.493
H7	C1	H9	108.493	H8	C1	H9	108.437
H10	C2	H11	107.131	H12	C4	H13	106.764

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: LSDA/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)