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	hartrees
Energy at 0K	-285.763684
Energy at 298.15K
HF Energy	-284.841935
Nuclear repulsion energy	216.252615

Atom	x (Å)	y (Å)	z (Å)
C1	-0.876	2.554	0.000
C2	-1.218	1.080	0.000
O3	0.000	0.354	0.000
C4	-0.212	-1.031	0.000
C5	1.099	-1.708	0.000
N6	2.112	-2.269	0.000
H7	-1.788	3.150	0.000
H8	-0.293	2.804	0.883
H9	-0.293	2.804	-0.883
H10	-1.813	0.821	-0.884
H11	-1.813	0.821	0.884
H12	-0.768	-1.363	-0.884
H13	-0.768	-1.363	0.884

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5136	2.3688	3.6460	4.6975	5.6739	1.0885	1.0874	1.0874	2.1595	2.1595	4.0175	4.0175
C2	1.5136		1.4182	2.3380	3.6248	4.7226	2.1468	2.1469	2.1469	1.0964	1.0964	2.6367	2.6367
O3	2.3688	1.4182		1.4004	2.3360	3.3671	3.3187	2.6214	2.6214	2.0702	2.0702	2.0783	2.0783
C4	3.6460	2.3380	1.4004		1.4755	2.6334	4.4674	3.9362	3.9362	2.6021	2.6021	1.0960	1.0960
C5	4.6975	3.6248	2.3360	1.4755		1.1582	5.6504	4.8039	4.8039	3.9563	3.9563	2.0943	2.0943
N6	5.6739	4.7226	3.3671	2.6334	1.1582		6.6759	5.6835	5.6835	5.0725	5.0725	3.1461	3.1461
H7	1.0885	2.1468	3.3187	4.4674	5.6504	6.6759		1.7697	1.7697	2.4913	2.4913	4.7103	4.7103
H8	1.0874	2.1469	2.6214	3.9362	4.8039	5.6835	1.7697		1.7662	3.0604	2.4987	4.5515	4.1946
H9	1.0874	2.1469	2.6214	3.9362	4.8039	5.6835	1.7697	1.7662		2.4987	3.0604	4.1946	4.5515
H10	2.1595	1.0964	2.0702	2.6021	3.9563	5.0725	2.4913	3.0604	2.4987		1.7680	2.4209	2.9976
H11	2.1595	1.0964	2.0702	2.6021	3.9563	5.0725	2.4913	2.4987	3.0604	1.7680		2.9976	2.4209
H12	4.0175	2.6367	2.0783	1.0960	2.0943	3.1461	4.7103	4.5515	4.1946	2.4209	2.9976		1.7675
H13	4.0175	2.6367	2.0783	1.0960	2.0943	3.1461	4.7103	4.1946	4.5515	2.9976	2.4209	1.7675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.753	C1	C2	H10	110.651
C1	C2	H11	110.651	C2	C1	H7	110.118
C2	C1	H8	110.186	C2	C1	H9	110.186
C2	O3	C4	112.088	O3	C2	H10	110.171
O3	C2	H11	110.171	O3	C4	C5	108.607
O3	C4	H12	112.142	O3	C4	H13	112.142
C4	C5	N6	178.349	C5	C4	H12	108.160
C5	C4	H13	108.160	H7	C1	H8	108.849
H7	C1	H9	108.849	H8	C1	H9	108.613
H10	C2	H11	107.461	H12	C4	H13	107.486

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: MP3/6-31+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: MP3/6-31+G**

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)