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	hartrees
Energy at 0K	-358.038443
Energy at 298.15K	-358.046122
HF Energy	-357.299328
Nuclear repulsion energy	242.652984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3006	16.04
2	A'	3100	2945	8.45
3	A'	3078	2924	12.83
4	A'	1787	1698	56.29
5	A'	1587	1508	4.46
6	A'	1572	1493	7.15
7	A'	1492	1418	7.54
8	A'	1433	1362	2.69
9	A'	1176	1117	123.14
10	A'	1158	1100	107.37
11	A'	1041	989	38.59
12	A'	901	856	53.99
13	A'	783	744	288.83
14	A'	667	634	62.22
15	A'	523	497	0.09
16	A'	355	337	0.77
17	A'	213	202	0.95
18	A"	3187	3028	28.86
19	A"	3159	3001	8.07
20	A"	1560	1482	7.05
21	A"	1322	1256	0.04
22	A"	1208	1147	5.03
23	A"	867	823	0.72
24	A"	680	646	8.82
25	A"	252	239	0.79
26	A"	112	106	3.16
27	A"	86	82	0.04

Atom	x (Å)	y (Å)	z (Å)
N1	1.128	-0.364	0.000
O2	0.000	0.602	0.000
O3	2.253	0.201	0.000
O4	0.842	-1.596	0.000
C5	-1.340	-0.067	0.000
C6	-2.335	1.093	0.000
H7	-1.423	-0.697	0.893
H8	-1.423	-0.697	-0.893
H9	-3.359	0.694	0.000
H10	-2.201	1.717	0.891
H11	-2.201	1.717	-0.891

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4851	1.2591	1.2643	2.4852	3.7567	2.7232	2.7232	4.6097	4.0254	4.0254
O2	1.4851		2.2883	2.3535	1.4974	2.3859	2.1239	2.1239	3.3600	2.6230	2.6230
O3	1.2591	2.2883		2.2846	3.6025	4.6736	3.8882	3.8882	5.6333	4.7881	4.7881
O4	1.2643	2.3535	2.2846		2.6637	4.1617	2.5952	2.5952	4.7843	4.5852	4.5852
C5	2.4852	1.4974	3.6025	2.6637		1.5284	1.0961	1.0961	2.1579	2.1720	2.1720
C6	3.7567	2.3859	4.6736	4.1617	1.5284		2.1984	2.1984	1.0988	1.0959	1.0959
H7	2.7232	2.1239	3.8882	2.5952	1.0961	2.1984		1.7858	2.5456	2.5361	3.1007
H8	2.7232	2.1239	3.8882	2.5952	1.0961	2.1984	1.7858		2.5456	3.1007	2.5361
H9	4.6097	3.3600	5.6333	4.7843	2.1579	1.0988	2.5456	2.5456		1.7834	1.7834
H10	4.0254	2.6230	4.7881	4.5852	2.1720	1.0959	2.5361	3.1007	1.7834		1.7821
H11	4.0254	2.6230	4.7881	4.5852	2.1720	1.0959	3.1007	2.5361	1.7834	1.7821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	112.870	O2	N1	O3	112.735
O2	N1	O4	117.517	O2	C5	C6	104.086
O2	C5	H7	108.971	O2	C5	H8	108.971
O3	N1	O4	129.748	C5	C6	H9	109.354
C5	C6	H10	110.633	C5	C6	H11	110.633
C6	C5	H7	112.749	C6	C5	H8	112.749
H7	C5	H8	109.108	H9	C6	H10	108.691
H9	C6	H11	108.691	H10	C6	H11	108.791

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

using model chemistry: MP2=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: MP2=FULL/6-31G

States and conformations

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