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	hartrees
Energy at 0K	-286.461607
Energy at 298.15K	-286.469380
HF Energy	-286.461607
Nuclear repulsion energy	216.653453

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3032	18.17
2	A'	3084	2950	14.41
3	A'	3013	2882	63.82
4	A'	3008	2877	21.98
5	A'	2408	2303	1.03
6	A'	1532	1466	4.56
7	A'	1505	1440	2.05
8	A'	1499	1434	6.93
9	A'	1452	1389	8.75
10	A'	1409	1348	23.54
11	A'	1382	1322	51.90
12	A'	1194	1143	219.94
13	A'	1157	1107	20.10
14	A'	1072	1026	20.96
15	A'	967	925	6.64
16	A'	912	872	5.18
17	A'	558	534	0.73
18	A'	421	403	1.22
19	A'	299	286	2.06
20	A'	133	127	3.32
21	A"	3176	3038	19.14
22	A"	3051	2918	4.95
23	A"	3042	2910	63.55
24	A"	1487	1422	8.43
25	A"	1306	1249	3.65
26	A"	1262	1208	3.64
27	A"	1184	1133	7.08
28	A"	1027	983	1.25
29	A"	824	789	0.76
30	A"	375	358	1.20
31	A"	244	233	0.35
32	A"	115	110	7.55
33	A"	78	74	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.958	2.529	0.000
C2	-1.240	1.048	0.000
O3	0.000	0.360	0.000
C4	-0.169	-1.028	0.000
C5	1.141	-1.679	0.000
N6	2.159	-2.228	0.000
H7	-1.895	3.089	0.000
H8	-0.386	2.810	0.885
H9	-0.386	2.810	-0.885
H10	-1.821	0.759	-0.887
H11	-1.821	0.759	0.887
H12	-0.722	-1.369	-0.887
H13	-0.722	-1.369	0.887

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5080	2.3713	3.6433	4.7025	5.6870	1.0916	1.0907	1.0907	2.1599	2.1599	4.0050	4.0050
C2	1.5080		1.4176	2.3351	3.6195	4.7198	2.1440	2.1493	2.1493	1.0995	1.0995	2.6259	2.6259
O3	2.3713	1.4176		1.3980	2.3364	3.3699	3.3225	2.6337	2.6337	2.0649	2.0649	2.0734	2.0734
C4	3.6433	2.3351	1.3980		1.4629	2.6190	4.4638	3.9447	3.9447	2.5903	2.5903	1.0998	1.0998
C5	4.7025	3.6195	2.3364	1.4629		1.1565	5.6525	4.8237	4.8237	3.9377	3.9377	2.0866	2.0866
N6	5.6870	4.7198	3.3699	2.6190	1.1565		6.6859	5.7132	5.7132	5.0547	5.0547	3.1345	3.1345
H7	1.0916	2.1440	3.3225	4.4638	5.6525	6.6859		1.7717	1.7717	2.4941	2.4941	4.6944	4.6944
H8	1.0907	2.1493	2.6337	3.9447	4.8237	5.7132	1.7717		1.7699	3.0674	2.5036	4.5522	4.1932
H9	1.0907	2.1493	2.6337	3.9447	4.8237	5.7132	1.7717	1.7699		2.5036	3.0674	4.1932	4.5522
H10	2.1599	1.0995	2.0649	2.5903	3.9377	5.0547	2.4941	3.0674	2.5036		1.7748	2.3954	2.9809
H11	2.1599	1.0995	2.0649	2.5903	3.9377	5.0547	2.4941	2.5036	3.0674	1.7748		2.9809	2.3954
H12	4.0050	2.6259	2.0734	1.0998	2.0866	3.1345	4.6944	4.5522	4.1932	2.3954	2.9809		1.7739
H13	4.0050	2.6259	2.0734	1.0998	2.0866	3.1345	4.6944	4.1932	4.5522	2.9809	2.3954	1.7739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.257	C1	C2	H10	110.882
C1	C2	H11	110.882	C2	C1	H7	110.095
C2	C1	H8	110.566	C2	C1	H9	110.566
C2	O3	C4	112.066	O3	C2	H10	109.594
O3	C2	H11	109.594	O3	C4	C5	109.490
O3	C4	H12	111.666	O3	C4	H13	111.666
C4	C5	N6	178.120	C5	C4	H12	108.191
C5	C4	H13	108.191	H7	C1	H8	108.552
H7	C1	H9	108.552	H8	C1	H9	108.448
H10	C2	H11	107.622	H12	C4	H13	107.508

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: B1B95/6-31+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: B1B95/6-31+G**

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)