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	hartrees
Energy at 0K	-282.918449
Energy at 298.15K	-282.925864
HF Energy	-282.918449
Nuclear repulsion energy	212.115006

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3563	3563	0.04
2	A'	3390	3390	0.03
3	A'	3329	3329	7.24
4	A'	3309	3309	3.21
5	A'	2499	2499	22.65
6	A'	1705	1705	3.26
7	A'	1684	1684	4.11
8	A'	1653	1653	1.91
9	A'	1586	1586	5.39
10	A'	1535	1535	7.45
11	A'	1463	1463	65.34
12	A'	1278	1278	19.14
13	A'	1228	1228	7.42
14	A'	1142	1142	2.31
15	A'	1015	1015	2.65
16	A'	979	979	2.11
17	A'	572	572	0.35
18	A'	442	442	0.76
19	A'	311	311	1.36
20	A'	134	134	1.99
21	A"	3563	3563	0.00
22	A"	3431	3431	7.54
23	A"	3402	3402	0.97
24	A"	1679	1679	3.06
25	A"	1385	1385	0.45
26	A"	1301	1301	2.15
27	A"	1242	1242	8.89
28	A"	1072	1072	0.43
29	A"	877	877	1.51
30	A"	387	387	1.10
31	A"	188	188	0.20
32	A"	123	123	4.28
33	A"	58	58	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	-1.410	2.385	0.000
C2	-1.396	0.841	0.000
O3	0.000	0.412	0.000
C4	-0.016	-1.046	0.000
C5	1.404	-1.533	0.000
N6	2.522	-1.921	0.000
H7	-2.443	2.748	0.000
H8	-0.898	2.767	0.890
H9	-0.898	2.767	-0.890
H10	-1.925	0.454	-0.894
H11	-1.925	0.454	0.894
H12	-0.530	-1.457	-0.897
H13	-0.530	-1.457	0.897

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5436	2.4248	3.7035	4.8236	5.8308	1.0955	1.0952	1.0952	2.1889	2.1889	4.0415	4.0415
C2	1.5436		1.4608	2.3386	3.6714	4.7941	2.1751	2.1788	2.1788	1.1086	1.1086	2.6143	2.6143
O3	2.4248	1.4608		1.4582	2.3988	3.4355	3.3803	2.6730	2.6730	2.1233	2.1233	2.1391	2.1391
C4	3.7035	2.3386	1.4582		1.5007	2.6844	4.5043	4.0138	4.0138	2.5883	2.5883	1.1121	1.1121
C5	4.8236	3.6714	2.3988	1.5007		1.1837	5.7557	4.9580	4.9580	3.9793	3.9793	2.1330	2.1330
N6	5.8308	4.7941	3.4355	2.6844	1.1837		6.8156	5.8707	5.8707	5.1209	5.1209	3.2150	3.2150
H7	1.0955	2.1751	3.3803	4.5043	5.7557	6.8156		1.7831	1.7831	2.5153	2.5153	4.7054	4.7054
H8	1.0952	2.1788	2.6730	4.0138	4.9580	5.8707	1.7831		1.7804	3.0958	2.5299	4.6004	4.2392
H9	1.0952	2.1788	2.6730	4.0138	4.9580	5.8707	1.7831	1.7804		2.5299	3.0958	4.2392	4.6004
H10	2.1889	1.1086	2.1233	2.5883	3.9793	5.1209	2.5153	3.0958	2.5299		1.7882	2.3663	2.9675
H11	2.1889	1.1086	2.1233	2.5883	3.9793	5.1209	2.5153	2.5299	3.0958	1.7882		2.9675	2.3663
H12	4.0415	2.6143	2.1391	1.1121	2.1330	3.2150	4.7054	4.6004	4.2392	2.3663	2.9675		1.7933
H13	4.0415	2.6143	2.1391	1.1121	2.1330	3.2150	4.7054	4.2392	4.6004	2.9675	2.3663	1.7933

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.598	C1	C2	H10	110.165
C1	C2	H11	110.165	C2	C1	H7	109.847
C2	C1	H8	110.153	C2	C1	H9	110.153
C2	O3	C4	106.485	O3	C2	H10	110.712
O3	C2	H11	110.712	O3	C4	C5	108.320
O3	C4	H12	111.952	O3	C4	H13	111.952
C4	C5	N6	179.828	C5	C4	H12	108.528
C5	C4	H13	108.528	H7	C1	H8	108.960
H7	C1	H9	108.960	H8	C1	H9	108.736
H10	C2	H11	107.507	H12	C4	H13	107.460

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: M06-2X/STO-3G

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: M06-2X/STO-3G

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)