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	hartrees
Energy at 0K	-286.209563
Energy at 298.15K
HF Energy	-284.933090
Nuclear repulsion energy	216.606008

Atom	x (Å)	y (Å)	z (Å)
C1	-1.077	2.481	0.000
C2	-1.281	0.987	0.000
O3	0.000	0.371	0.000
C4	-0.129	-1.028	0.000
C5	1.205	-1.629	0.000
N6	2.255	-2.138	0.000
H7	-2.038	2.991	0.000
H8	-0.520	2.783	0.882
H9	-0.520	2.783	-0.882
H10	-1.841	0.669	-0.885
H11	-1.841	0.669	0.885
H12	-0.668	-1.381	-0.884
H13	-0.668	-1.381	0.884

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5073	2.3687	3.6344	4.7005	5.6952	1.0878	1.0867	1.0867	2.1556	2.1556	3.9823	3.9823
C2	1.5073		1.4216	2.3213	3.6090	4.7194	2.1417	2.1412	2.1412	1.0942	1.0942	2.6009	2.6009
O3	2.3687	1.4216		1.4048	2.3348	3.3736	3.3191	2.6208	2.6208	2.0645	2.0645	2.0730	2.0730
C4	3.6344	2.3213	1.4048		1.4630	2.6297	4.4491	3.9316	3.9316	2.5684	2.5684	1.0945	1.0945
C5	4.7005	3.6090	2.3348	1.4630		1.1669	5.6442	4.8188	4.8188	3.9173	3.9173	2.0867	2.0867
N6	5.6952	4.7194	3.3736	2.6297	1.1669		6.6884	5.7183	5.7183	5.0444	5.0444	3.1469	3.1469
H7	1.0878	2.1417	3.3191	4.4491	5.6442	6.6884		1.7681	1.7681	2.4920	2.4920	4.6656	4.6656
H8	1.0867	2.1412	2.6208	3.9316	4.8188	5.7183	1.7681		1.7648	3.0557	2.4930	4.5259	4.1668
H9	1.0867	2.1412	2.6208	3.9316	4.8188	5.7183	1.7681	1.7648		2.4930	3.0557	4.1668	4.5259
H10	2.1556	1.0942	2.0645	2.5684	3.9173	5.0444	2.4920	3.0557	2.4930		1.7692	2.3620	2.9510
H11	2.1556	1.0942	2.0645	2.5684	3.9173	5.0444	2.4920	2.4930	3.0557	1.7692		2.9510	2.3620
H12	3.9823	2.6009	2.0730	1.0945	2.0867	3.1469	4.6656	4.5259	4.1668	2.3620	2.9510		1.7688
H13	3.9823	2.6009	2.0730	1.0945	2.0867	3.1469	4.6656	4.1668	4.5259	2.9510	2.3620	1.7688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.908	C1	C2	H10	110.917
C1	C2	H11	110.917	C2	C1	H7	110.192
C2	C1	H8	110.213	C2	C1	H9	110.213
C2	O3	C4	110.432	O3	C2	H10	109.601
O3	C2	H11	109.601	O3	C4	C5	108.987
O3	C4	H12	111.481	O3	C4	H13	111.481
C4	C5	N6	178.360	C5	C4	H12	108.495
C5	C4	H13	108.495	H7	C1	H8	108.797
H7	C1	H9	108.797	H8	C1	H9	108.584
H10	C2	H11	107.890	H12	C4	H13	107.811

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: MP4=FULL/cc-pVTZ

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: MP4=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)