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	hartrees
Energy at 0K	-51.391923
Energy at 298.15K	-51.399976
HF Energy	-51.391923
Nuclear repulsion energy	118.763468

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3268	2953	53.40
2	A'	3202	2893	42.40
3	A'	3196	2887	35.61
4	A'	3165	2859	54.00
5	A'	2570	2322	3.23
6	A'	1667	1506	2.04
7	A'	1644	1485	2.81
8	A'	1630	1472	3.17
9	A'	1592	1438	5.54
10	A'	1546	1396	58.11
11	A'	1515	1369	78.19
12	A'	1288	1164	254.53
13	A'	1254	1133	37.99
14	A'	1131	1022	23.27
15	A'	1011	913	28.74
16	A'	959	866	0.35
17	A'	601	543	1.41
18	A'	444	401	1.74
19	A'	326	294	2.45
20	A'	143	129	4.03
21	A"	3282	2965	58.13
22	A"	3243	2930	36.19
23	A"	3201	2892	62.13
24	A"	1614	1458	4.40
25	A"	1417	1280	5.81
26	A"	1381	1248	2.49
27	A"	1289	1165	7.49
28	A"	1133	1024	4.66
29	A"	878	793	0.00
30	A"	407	367	2.61
31	A"	266	240	0.62
32	A"	117	106	8.45
33	A"	77	70	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.785	2.595	0.000
C2	-1.181	1.124	0.000
O3	0.000	0.344	0.000
C4	-0.247	-1.025	0.000
C5	1.054	-1.751	0.000
N6	2.025	-2.341	0.000
H7	-1.675	3.219	0.000
H8	-0.196	2.830	0.881
H9	-0.196	2.830	-0.881
H10	-1.777	0.885	-0.882
H11	-1.777	0.885	0.882
H12	-0.802	-1.337	-0.883
H13	-0.802	-1.337	0.883

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5233	2.3836	3.6596	4.7191	5.6799	1.0870	1.0853	1.0853	2.1644	2.1644	4.0299	4.0299
C2	1.5233		1.4150	2.3432	3.6415	4.7207	2.1522	2.1577	2.1577	1.0907	1.0907	2.6419	2.6419
O3	2.3836	1.4150		1.3911	2.3456	3.3634	3.3269	2.6441	2.6441	2.0560	2.0560	2.0611	2.0611
C4	3.6596	2.3432	1.3911		1.4894	2.6253	4.4776	3.9542	3.9542	2.6015	2.6015	1.0883	1.0883
C5	4.7191	3.6415	2.3456	1.4894		1.1364	5.6699	4.8294	4.8294	3.9675	3.9675	2.0958	2.0958
N6	5.6799	4.7207	3.3634	2.6253	1.1364		6.6786	5.6962	5.6962	5.0637	5.0637	3.1266	3.1266
H7	1.0870	2.1522	3.3269	4.4776	5.6699	6.6786		1.7650	1.7650	2.4966	2.4966	4.7220	4.7220
H8	1.0853	2.1577	2.6441	3.9542	4.8294	5.6962	1.7650		1.7618	3.0639	2.5061	4.5649	4.2106
H9	1.0853	2.1577	2.6441	3.9542	4.8294	5.6962	1.7650	1.7618		2.5061	3.0639	4.2106	4.5649
H10	2.1644	1.0907	2.0560	2.6015	3.9675	5.0637	2.4966	3.0639	2.5061		1.7635	2.4269	3.0004
H11	2.1644	1.0907	2.0560	2.6015	3.9675	5.0637	2.4966	2.5061	3.0639	1.7635		3.0004	2.4269
H12	4.0299	2.6419	2.0611	1.0883	2.0958	3.1266	4.7220	4.5649	4.2106	2.4269	3.0004		1.7650
H13	4.0299	2.6419	2.0611	1.0883	2.0958	3.1266	4.7220	4.2106	4.5649	3.0004	2.4269	1.7650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.369	C1	C2	H10	110.699
C1	C2	H11	110.699	C2	C1	H7	109.949
C2	C1	H8	110.482	C2	C1	H9	110.482
C2	O3	C4	113.233	O3	C2	H10	109.592
O3	C2	H11	109.592	O3	C4	C5	108.992
O3	C4	H12	111.885	O3	C4	H13	111.885
C4	C5	N6	177.923	C5	C4	H12	107.773
C5	C4	H13	107.773	H7	C1	H8	108.681
H7	C1	H9	108.681	H8	C1	H9	108.515
H10	C2	H11	107.880	H12	C4	H13	108.369

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: HF/CEP-121G*

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: HF/CEP-121G*

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)