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	hartrees
Energy at 0K	-281.348997
Energy at 298.15K	-281.356335
HF Energy	-281.348997
Nuclear repulsion energy	211.931732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3476	3112	0.57
2	A'	3305	2960	0.29
3	A'	3201	2866	14.13
4	A'	3156	2827	15.15
5	A'	2334	2090	19.69
6	A'	1651	1478	6.05
7	A'	1630	1460	6.10
8	A'	1593	1427	5.76
9	A'	1523	1364	10.45
10	A'	1465	1312	7.91
11	A'	1386	1241	39.94
12	A'	1229	1101	30.98
13	A'	1174	1051	19.73
14	A'	1099	984	5.01
15	A'	981	878	0.83
16	A'	951	852	0.85
17	A'	547	490	0.15
18	A'	430	385	0.73
19	A'	296	265	1.23
20	A'	127	114	1.64
21	A"	3478	3115	0.16
22	A"	3292	2948	10.49
23	A"	3228	2890	2.89
24	A"	1625	1455	6.75
25	A"	1332	1193	0.00
26	A"	1232	1104	1.51
27	A"	1202	1076	8.06
28	A"	1033	925	0.14
29	A"	865	775	4.70
30	A"	367	328	0.28
31	A"	201	180	0.05
32	A"	134	120	3.93
33	A"	84	75	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	-1.515	2.313	0.000
C2	-1.421	0.782	0.000
O3	0.000	0.433	0.000
C4	0.031	-1.028	0.000
C5	1.451	-1.473	0.000
N6	2.596	-1.842	0.000
H7	-2.571	2.623	0.000
H8	-1.024	2.726	0.894
H9	-1.024	2.726	-0.894
H10	-1.934	0.361	-0.899
H11	-1.934	0.361	0.899
H12	-0.481	-1.462	-0.901
H13	-0.481	-1.462	0.901

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5345	2.4147	3.6810	4.8095	5.8455	1.1004	1.1002	1.1002	2.1899	2.1899	4.0162	4.0162
C2	1.5345		1.4635	2.3199	3.6514	4.7987	2.1704	2.1765	2.1765	1.1172	1.1172	2.5938	2.5938
O3	2.4147	1.4635		1.4606	2.3953	3.4522	3.3770	2.6656	2.6656	2.1342	2.1342	2.1518	2.1518
C4	3.6810	2.3199	1.4606		1.4881	2.6919	4.4824	3.9999	3.9999	2.5686	2.5686	1.1230	1.1230
C5	4.8095	3.6514	2.3953	1.4881		1.2038	5.7400	4.9552	4.9552	3.9536	3.9536	2.1310	2.1310
N6	5.8455	4.7987	3.4522	2.6919	1.2038		6.8290	5.8968	5.8968	5.1177	5.1177	3.2288	3.2288
H7	1.1004	2.1704	3.3770	4.4824	5.7400	6.8290		1.7897	1.7897	2.5156	2.5156	4.6755	4.6755
H8	1.1002	2.1765	2.6656	3.9999	4.9552	5.8968	1.7897		1.7880	3.1042	2.5341	4.5880	4.2224
H9	1.1002	2.1765	2.6656	3.9999	4.9552	5.8968	1.7897	1.7880		2.5341	3.1042	4.2224	4.5880
H10	2.1899	1.1172	2.1342	2.5686	3.9536	5.1177	2.5156	3.1042	2.5341		1.7975	2.3312	2.9449
H11	2.1899	1.1172	2.1342	2.5686	3.9536	5.1177	2.5156	2.5341	3.1042	1.7975		2.9449	2.3312
H12	4.0162	2.5938	2.1518	1.1230	2.1310	3.2288	4.6755	4.5880	4.2224	2.3312	2.9449		1.8012
H13	4.0162	2.5938	2.1518	1.1230	2.1310	3.2288	4.6755	4.2224	4.5880	2.9449	2.3312	1.8012

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.279	C1	C2	H10	110.361
C1	C2	H11	110.361	C2	C1	H7	109.814
C2	C1	H8	110.309	C2	C1	H9	110.309
C2	O3	C4	105.002	O3	C2	H10	110.872
O3	C2	H11	110.872	O3	C4	C5	108.638
O3	C4	H12	112.133	O3	C4	H13	112.133
C4	C5	N6	179.580	C5	C4	H12	108.593
C5	C4	H13	108.593	H7	C1	H8	108.833
H7	C1	H9	108.833	H8	C1	H9	108.706
H10	C2	H11	107.127	H12	C4	H13	106.637

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: LSDA/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: LSDA/STO-3G

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)