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	hartrees
Energy at 0K	-359.096943
Energy at 298.15K
HF Energy	-357.644430
Nuclear repulsion energy	251.120890

Atom	x (Å)	y (Å)	z (Å)
N1	1.103	-0.320	0.000
O2	0.000	0.580	0.000
O3	2.165	0.254	0.000
O4	0.850	-1.508	0.000
C5	-1.266	-0.103	0.000
C6	-2.307	0.990	0.000
H7	-1.340	-0.731	0.883
H8	-1.340	-0.731	-0.883
H9	-3.298	0.542	0.000
H10	-2.208	1.615	0.883
H11	-2.208	1.615	-0.883

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4233	1.2070	1.2145	2.3791	3.6525	2.6300	2.6300	4.4841	3.9352	3.9352
O2	1.4233		2.1892	2.2538	1.4386	2.3430	2.0724	2.0724	3.2981	2.5938	2.5938
O3	1.2070	2.1892		2.1981	3.4496	4.5318	3.7462	3.7462	5.4702	4.6644	4.6644
O4	1.2145	2.2538	2.1981		2.5400	4.0249	2.4855	2.4855	4.6261	4.4588	4.4588
C5	2.3791	1.4386	3.4496	2.5400		1.5085	1.0866	1.0866	2.1311	2.1486	2.1486
C6	3.6525	2.3430	4.5318	4.0249	1.5085		2.1625	2.1625	1.0876	1.0864	1.0864
H7	2.6300	2.0724	3.7462	2.4855	1.0866	2.1625		1.7666	2.4966	2.5014	3.0623
H8	2.6300	2.0724	3.7462	2.4855	1.0866	2.1625	1.7666		2.4966	3.0623	2.5014
H9	4.4841	3.2981	5.4702	4.6261	2.1311	1.0876	2.4966	2.4966		1.7660	1.7660
H10	3.9352	2.5938	4.6644	4.4588	2.1486	1.0864	2.5014	3.0623	1.7660		1.7662
H11	3.9352	2.5938	4.6644	4.4588	2.1486	1.0864	3.0623	2.5014	1.7660	1.7662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	112.469	O2	N1	O3	112.421
O2	N1	O4	117.180	O2	C5	C6	105.288
O2	C5	H7	109.518	O2	C5	H8	109.518
O3	N1	O4	130.399	C5	C6	H9	109.273
C5	C6	H10	110.735	C5	C6	H11	110.735
C6	C5	H7	111.845	C6	C5	H8	111.845
H7	C5	H8	108.757	H9	C6	H10	108.645
H9	C6	H11	108.645	H10	C6	H11	108.755

All results from a given calculation for C₂H₅NO₃ (Nitric acid, ethyl ester)

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 C2H5NO3 (Nitric acid, ethyl ester)

using model chemistry: MP4=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₅NO₃ (Nitric acid, ethyl ester)