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	hartrees
Energy at 0K	-359.007150
Energy at 298.15K	-359.015312
HF Energy	-357.654265
Nuclear repulsion energy	254.903366

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	2968	13.78
2	A'	3145	2933	7.49
3	A'	3116	2906	9.22
4	A'	1847	1722	517.47
5	A'	1566	1460	1.60
6	A'	1535	1431	5.83
7	A'	1481	1381	49.89
8	A'	1445	1347	103.09
9	A'	1403	1309	141.37
10	A'	1190	1109	24.46
11	A'	1114	1039	110.51
12	A'	1014	946	157.29
13	A'	947	883	42.66
14	A'	775	723	2.05
15	A'	613	572	3.92
16	A'	403	376	2.69
17	A'	241	225	0.40
18	A"	3194	2978	24.61
19	A"	3171	2957	0.25
20	A"	1522	1419	6.74
21	A"	1334	1244	1.21
22	A"	1217	1135	3.94
23	A"	853	795	6.19
24	A"	837	781	10.08
25	A"	276	258	0.45
26	A"	129	121	0.95
27	A"	110	103	0.41

Atom	x (Å)	y (Å)	z (Å)
N1	1.090	-0.277	0.000
O2	0.000	0.548	0.000
O3	2.120	0.309	0.000
O4	0.894	-1.455	0.000
C5	-1.253	-0.146	0.000
C6	-2.309	0.928	0.000
H7	-1.316	-0.773	0.880
H8	-1.316	-0.773	-0.880
H9	-3.289	0.464	0.000
H10	-2.223	1.553	0.880
H11	-2.223	1.553	-0.880

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.3666	1.1855	1.1942	2.3464	3.6060	2.6092	2.6092	4.4408	3.8851	3.8851
O2	1.3666		2.1340	2.1935	1.4325	2.3404	2.0620	2.0620	3.2902	2.5934	2.5934
O3	1.1855	2.1340		2.1479	3.4041	4.4729	3.7088	3.7088	5.4118	4.6030	4.6030
O4	1.1942	2.1935	2.1479		2.5149	3.9923	2.4748	2.4748	4.6021	4.4201	4.4201
C5	2.3464	1.4325	3.4041	2.5149		1.5058	1.0822	1.0822	2.1251	2.1450	2.1450
C6	3.6060	2.3404	4.4729	3.9923	1.5058		2.1568	2.1568	1.0841	1.0835	1.0835
H7	2.6092	2.0620	3.7088	2.4748	1.0822	2.1568		1.7592	2.4889	2.4964	3.0545
H8	2.6092	2.0620	3.7088	2.4748	1.0822	2.1568	1.7592		2.4889	3.0545	2.4964
H9	4.4408	3.2902	5.4118	4.6021	2.1251	1.0841	2.4889	2.4889		1.7605	1.7605
H10	3.8851	2.5934	4.6030	4.4201	2.1450	1.0835	2.4964	3.0545	1.7605		1.7610
H11	3.8851	2.5934	4.6030	4.4201	2.1450	1.0835	3.0545	2.4964	1.7605	1.7610

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	113.898	O2	N1	O3	113.285
O2	N1	O4	117.711	O2	C5	C6	105.567
O2	C5	H7	109.378	O2	C5	H8	109.378
O3	N1	O4	129.004	C5	C6	H9	109.194
C5	C6	H10	110.813	C5	C6	H11	110.813
C6	C5	H7	111.854	C6	C5	H8	111.854
H7	C5	H8	108.737	H9	C6	H10	108.626
H9	C6	H11	108.626	H10	C6	H11	108.712

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

using model chemistry: MP3=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: MP3=FULL/cc-pVTZ

States and conformations

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