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	hartrees
Energy at 0K	-286.541628
Energy at 298.15K	-286.549421
HF Energy	-286.541628
Nuclear repulsion energy	217.295949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3156	3020	18.48
2	A'	3077	2944	12.60
3	A'	3004	2874	59.90
4	A'	2998	2869	20.24
5	A'	2413	2309	0.79
6	A'	1533	1467	5.39
7	A'	1504	1439	0.98
8	A'	1498	1433	8.30
9	A'	1452	1390	5.84
10	A'	1413	1352	22.35
11	A'	1388	1328	46.41
12	A'	1179	1129	216.91
13	A'	1159	1109	21.43
14	A'	1068	1022	20.79
15	A'	967	925	6.62
16	A'	912	873	5.92
17	A'	563	539	0.84
18	A'	420	402	1.35
19	A'	299	286	1.78
20	A'	132	126	3.37
21	A"	3162	3025	19.98
22	A"	3035	2905	6.01
23	A"	3028	2898	62.02
24	A"	1485	1421	7.43
25	A"	1307	1251	3.04
26	A"	1266	1212	3.15
27	A"	1188	1137	6.63
28	A"	1029	985	1.11
29	A"	826	791	0.76
30	A"	376	360	1.22
31	A"	248	237	0.33
32	A"	114	109	7.01
33	A"	74	70	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-1.019	2.502	0.000
C2	-1.255	1.017	0.000
O3	0.000	0.363	0.000
C4	-0.141	-1.026	0.000
C5	1.175	-1.653	0.000
N6	2.194	-2.179	0.000
H7	-1.970	3.032	0.000
H8	-0.457	2.801	0.883
H9	-0.457	2.801	-0.883
H10	-1.829	0.714	-0.885
H11	-1.829	0.714	0.885
H12	-0.686	-1.379	-0.884
H13	-0.686	-1.379	0.884

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5042	2.3695	3.6358	4.6988	5.6775	1.0888	1.0879	1.0879	2.1533	2.1533	3.9948	3.9948
C2	1.5042		1.4154	2.3270	3.6101	4.7020	2.1380	2.1445	2.1445	1.0969	1.0969	2.6166	2.6166
O3	2.3695	1.4154		1.3960	2.3333	3.3576	3.3173	2.6328	2.6328	2.0619	2.0619	2.0707	2.0707
C4	3.6358	2.3270	1.3960		1.4571	2.6037	4.4510	3.9400	3.9400	2.5809	2.5809	1.0975	1.0975
C5	4.6988	3.6101	2.3333	1.4571		1.1469	5.6425	4.8250	4.8250	3.9253	3.9253	2.0783	2.0783
N6	5.6775	4.7020	3.3576	2.6037	1.1469		6.6701	5.7101	5.7101	5.0334	5.0334	3.1171	3.1171
H7	1.0888	2.1380	3.3173	4.4510	5.6425	6.6701		1.7667	1.7667	2.4847	2.4847	4.6783	4.6783
H8	1.0879	2.1445	2.6328	3.9400	4.8250	5.7101	1.7667		1.7655	3.0593	2.4972	4.5439	4.1862
H9	1.0879	2.1445	2.6328	3.9400	4.8250	5.7101	1.7667	1.7655		2.4972	3.0593	4.1862	4.5439
H10	2.1533	1.0969	2.0619	2.5809	3.9253	5.0334	2.4847	3.0593	2.4972		1.7692	2.3849	2.9694
H11	2.1533	1.0969	2.0619	2.5809	3.9253	5.0334	2.4847	2.4972	3.0593	1.7692		2.9694	2.3849
H12	3.9948	2.6166	2.0707	1.0975	2.0783	3.1171	4.6783	4.5439	4.1862	2.3849	2.9694		1.7687
H13	3.9948	2.6166	2.0707	1.0975	2.0783	3.1171	4.6783	4.1862	4.5439	2.9694	2.3849	1.7687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.464	C1	C2	H10	110.776
C1	C2	H11	110.776	C2	C1	H7	110.048
C2	C1	H8	110.619	C2	C1	H9	110.619
C2	O3	C4	111.727	O3	C2	H10	109.659
O3	C2	H11	109.659	O3	C4	C5	109.715
O3	C4	H12	111.736	O3	C4	H13	111.736
C4	C5	N6	178.221	C5	C4	H12	108.064
C5	C4	H13	108.064	H7	C1	H8	108.511
H7	C1	H9	108.511	H8	C1	H9	108.470
H10	C2	H11	107.499	H12	C4	H13	107.376

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: B1B95/TZVP

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: B1B95/TZVP

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)