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	hartrees
Energy at 0K	-358.769206
Energy at 298.15K
HF Energy	-357.594393
Nuclear repulsion energy	249.454633

Atom	x (Å)	y (Å)	z (Å)
N1	1.110	-0.335	0.000
O2	0.000	0.580	0.000
O3	2.176	0.241	0.000
O4	0.852	-1.527	0.000
C5	-1.277	-0.093	0.000
C6	-2.314	1.021	0.000
H7	-1.360	-0.727	0.891
H8	-1.360	-0.727	-0.891
H9	-3.317	0.579	0.000
H10	-2.204	1.648	0.891
H11	-2.204	1.648	-0.891

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4379	1.2115	1.2193	2.3993	3.6817	2.6550	2.6550	4.5204	3.9629	3.9629
O2	1.4379		2.2018	2.2724	1.4440	2.3552	2.0861	2.0861	3.3174	2.6061	2.6061
O3	1.2115	2.2018		2.2081	3.4692	4.5563	3.7729	3.7729	5.5034	4.6854	4.6854
O4	1.2193	2.2724	2.2081		2.5673	4.0635	2.5161	2.5161	4.6715	4.4958	4.4958
C5	2.3993	1.4440	3.4692	2.5673		1.5213	1.0963	1.0963	2.1480	2.1642	2.1642
C6	3.6817	2.3552	4.5563	4.0635	1.5213		2.1807	2.1807	1.0965	1.0950	1.0950
H7	2.6550	2.0861	3.7729	2.5161	1.0963	2.1807		1.7820	2.5158	2.5199	3.0863
H8	2.6550	2.0861	3.7729	2.5161	1.0963	2.1807	1.7820		2.5158	3.0863	2.5199
H9	4.5204	3.3174	5.5034	4.6715	2.1480	1.0965	2.5158	2.5158		1.7818	1.7818
H10	3.9629	2.6061	4.6854	4.4958	2.1642	1.0950	2.5199	3.0863	1.7818		1.7819
H11	3.9629	2.6061	4.6854	4.4958	2.1642	1.0950	3.0863	2.5199	1.7818	1.7819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	112.719	O2	N1	O3	112.128
O2	N1	O4	117.317	O2	C5	C6	105.138
O2	C5	H7	109.655	O2	C5	H8	109.655
O3	N1	O4	130.555	C5	C6	H9	109.200
C5	C6	H10	110.563	C5	C6	H11	110.563
C6	C5	H7	111.805	C6	C5	H8	111.805
H7	C5	H8	108.722	H9	C6	H10	108.783
H9	C6	H11	108.783	H10	C6	H11	108.908

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

using model chemistry: MP4/6-311G**

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: MP4/6-311G**

States and conformations

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