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	hartrees
Energy at 0K	-51.373580
Energy at 298.15K	-51.381617
HF Energy	-51.373580
Nuclear repulsion energy	118.364480

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3304	2967	64.95
2	A'	3240	2910	51.07
3	A'	3234	2904	45.35
4	A'	3203	2876	64.66
5	A'	2621	2354	6.24
6	A'	1663	1493	2.04
7	A'	1639	1472	1.75
8	A'	1627	1461	3.40
9	A'	1594	1432	3.83
10	A'	1546	1388	75.59
11	A'	1513	1359	74.76
12	A'	1294	1162	243.47
13	A'	1255	1127	43.89
14	A'	1139	1023	22.54
15	A'	1017	914	27.51
16	A'	967	868	0.61
17	A'	597	536	1.08
18	A'	443	398	2.05
19	A'	326	293	2.25
20	A'	143	128	3.73
21	A"	3318	2979	71.13
22	A"	3285	2950	40.03
23	A"	3240	2910	71.80
24	A"	1611	1446	3.84
25	A"	1416	1272	4.81
26	A"	1381	1240	1.79
27	A"	1285	1154	9.15
28	A"	1127	1012	5.05
29	A"	872	783	0.11
30	A"	409	368	2.11
31	A"	267	240	0.74
32	A"	119	107	8.91
33	A"	78	70	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.786	2.601	0.000
C2	-1.184	1.125	0.000
O3	0.000	0.348	0.000
C4	-0.251	-1.020	0.000
C5	1.053	-1.756	0.000
N6	2.036	-2.355	0.000
H7	-1.680	3.228	0.000
H8	-0.194	2.833	0.885
H9	-0.194	2.833	-0.885
H10	-1.781	0.884	-0.885
H11	-1.781	0.884	0.885
H12	-0.807	-1.333	-0.886
H13	-0.807	-1.333	0.886

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5285	2.3863	3.6609	4.7292	5.7027	1.0916	1.0900	1.0900	2.1728	2.1728	4.0326	4.0326
C2	1.5285		1.4162	2.3396	3.6476	4.7408	2.1603	2.1635	2.1635	1.0945	1.0945	2.6400	2.6400
O3	2.3863	1.4162		1.3914	2.3527	3.3835	3.3340	2.6453	2.6453	2.0596	2.0596	2.0645	2.0645
C4	3.6609	2.3396	1.3914		1.4976	2.6478	4.4821	3.9545	3.9545	2.5981	2.5981	1.0917	1.0917
C5	4.7292	3.6476	2.3527	1.4976		1.1506	5.6838	4.8371	4.8371	3.9730	3.9730	2.1036	2.1036
N6	5.7027	4.7408	3.3835	2.6478	1.1506		6.7059	5.7155	5.7155	5.0832	5.0832	3.1483	3.1483
H7	1.0916	2.1603	3.3340	4.4821	5.6838	6.7059		1.7740	1.7740	2.5073	2.5073	4.7273	4.7273
H8	1.0900	2.1635	2.6453	3.9545	4.8371	5.7155	1.7740		1.7702	3.0742	2.5135	4.5684	4.2111
H9	1.0900	2.1635	2.6453	3.9545	4.8371	5.7155	1.7740	1.7702		2.5135	3.0742	4.2111	4.5684
H10	2.1728	1.0945	2.0596	2.5981	3.9730	5.0832	2.5073	3.0742	2.5135		1.7701	2.4214	3.0001
H11	2.1728	1.0945	2.0596	2.5981	3.9730	5.0832	2.5073	2.5135	3.0742	1.7701		3.0001	2.4214
H12	4.0326	2.6400	2.0645	1.0917	2.1036	3.1483	4.7273	4.5684	4.2111	2.4214	3.0001		1.7723
H13	4.0326	2.6400	2.0645	1.0917	2.1036	3.1483	4.7273	4.2111	4.5684	3.0001	2.4214	1.7723

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	108.205	C1	C2	H10	110.773
C1	C2	H11	110.773	C2	C1	H7	109.954
C2	C1	H8	110.306	C2	C1	H9	110.306
C2	O3	C4	112.882	O3	C2	H10	109.576
O3	C2	H11	109.576	O3	C4	C5	108.997
O3	C4	H12	111.927	O3	C4	H13	111.927
C4	C5	N6	178.050	C5	C4	H12	107.640
C5	C4	H13	107.640	H7	C1	H8	108.818
H7	C1	H9	108.818	H8	C1	H9	108.597
H10	C2	H11	107.930	H12	C4	H13	108.530

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: HF/CEP-31G*

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-31G*

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)