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	hartrees
Energy at 0K	-358.581242
Energy at 298.15K	-358.589092
HF Energy	-357.497396
Nuclear repulsion energy	248.720617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3160	3038
2	A'	3084	2966
3	A'	3076	2958
4	A'	1747	1680
5	A'	1564	1504
6	A'	1543	1483
7	A'	1465	1409
8	A'	1417	1362
9	A'	1277	1228
10	A'	1166	1122
11	A'	1068	1027
12	A'	939	903
13	A'	829	797
14	A'	691	665
15	A'	553	531
16	A'	376	361
17	A'	228	220
18	A"	3174	3052
19	A"	3138	3018
20	A"	1532	1473
21	A"	1308	1258
22	A"	1207	1161
23	A"	844	811
24	A"	736	708
25	A"	264	254
26	A"	128	123
27	A"	97	93

Atom	x (Å)	y (Å)	z (Å)
N1	1.106	-0.330	0.000
O2	0.000	0.580	0.000
O3	2.185	0.249	0.000
O4	0.849	-1.534	0.000
C5	-1.284	-0.098	0.000
C6	-2.311	1.019	0.000
H7	-1.361	-0.732	0.891
H8	-1.361	-0.732	-0.891
H9	-3.319	0.586	0.000
H10	-2.200	1.647	0.890
H11	-2.200	1.647	-0.890

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4321	1.2243	1.2309	2.4013	3.6733	2.6537	2.6537	4.5189	3.9535	3.9535
O2	1.4321		2.2099	2.2780	1.4521	2.3523	2.0904	2.0904	3.3193	2.6022	2.6022
O3	1.2243	2.2099		2.2272	3.4864	4.5614	3.7856	3.7856	5.5145	4.6880	4.6880
O4	1.2309	2.2780	2.2272		2.5717	4.0622	2.5142	2.5142	4.6765	4.4954	4.4954
C5	2.4013	1.4521	3.4864	2.5717		1.5167	1.0966	1.0966	2.1468	2.1623	2.1623
C6	3.6733	2.3523	4.5614	4.0622	1.5167		2.1823	2.1823	1.0970	1.0954	1.0954
H7	2.6537	2.0904	3.7856	2.5142	1.0966	2.1823		1.7814	2.5232	2.5232	3.0885
H8	2.6537	2.0904	3.7856	2.5142	1.0966	2.1823	1.7814		2.5232	3.0885	2.5232
H9	4.5189	3.3193	5.5145	4.6765	2.1468	1.0970	2.5232	2.5232		1.7805	1.7805
H10	3.9535	2.6022	4.6880	4.4954	2.1623	1.0954	2.5232	3.0885	1.7805		1.7807
H11	3.9535	2.6022	4.6880	4.4954	2.1623	1.0954	3.0885	2.5232	1.7805	1.7807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	112.727	O2	N1	O3	112.359
O2	N1	O4	117.415	O2	C5	C6	104.784
O2	C5	H7	109.412	O2	C5	H8	109.412
O3	N1	O4	130.226	C5	C6	H9	109.394
C5	C6	H10	110.713	C5	C6	H11	110.713
C6	C5	H7	112.251	C6	C5	H8	112.251
H7	C5	H8	108.636	H9	C6	H10	108.610
H9	C6	H11	108.610	H10	C6	H11	108.746

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

using model chemistry: MP4=FULL/6-31G*

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/6-31G*

States and conformations

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