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	hartrees
Energy at 0K	-357.577073
Energy at 298.15K	-357.584740
HF Energy	-357.577073
Nuclear repulsion energy	247.246223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3104	3041	6.54
2	A'	3009	2948	6.95
3	A'	3001	2940	6.11
4	A'	1652	1618	237.01
5	A'	1492	1462	10.38
6	A'	1478	1448	10.65
7	A'	1401	1372	17.76
8	A'	1349	1321	12.32
9	A'	1243	1218	203.72
10	A'	1134	1111	11.10
11	A'	1053	1032	43.86
12	A'	897	879	18.38
13	A'	796	780	190.19
14	A'	670	657	40.94
15	A'	534	523	0.33
16	A'	364	357	0.56
17	A'	213	208	0.77
18	A"	3112	3049	11.00
19	A"	3054	2992	8.42
20	A"	1463	1434	14.72
21	A"	1246	1221	0.00
22	A"	1151	1128	6.00
23	A"	818	801	3.79
24	A"	711	697	10.05
25	A"	248	243	0.61
26	A"	141	138	1.93
27	A"	57	56	0.19

Atom	x (Å)	y (Å)	z (Å)
N1	1.116	-0.342	0.000
O2	0.000	0.606	0.000
O3	2.213	0.209	0.000
O4	0.815	-1.546	0.000
C5	-1.291	-0.073	0.000
C6	-2.308	1.031	0.000
H7	-1.359	-0.721	0.893
H8	-1.359	-0.721	-0.893
H9	-3.324	0.603	0.000
H10	-2.201	1.668	0.894
H11	-2.201	1.668	-0.894

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.4640	1.2277	1.2410	2.4224	3.6890	2.6580	2.6580	4.5395	3.9796	3.9796
O2	1.4640		2.2481	2.3010	1.4590	2.3467	2.0984	2.0984	3.3241	2.6018	2.6018
O3	1.2277	2.2481		2.2437	3.5157	4.5948	3.7972	3.7972	5.5510	4.7333	4.7333
O4	1.2410	2.3010	2.2437		2.5706	4.0494	2.4909	2.4909	4.6639	4.4969	4.4969
C5	2.4224	1.4590	3.5157	2.5706		1.5011	1.1052	1.1052	2.1421	2.1577	2.1577
C6	3.6890	2.3467	4.5948	4.0494	1.5011		2.1839	2.1839	1.1031	1.1021	1.1021
H7	2.6580	2.0984	3.7972	2.4909	1.1052	2.1839		1.7860	2.5323	2.5326	3.0994
H8	2.6580	2.0984	3.7972	2.4909	1.1052	2.1839	1.7860		2.5323	3.0994	2.5326
H9	4.5395	3.3241	5.5510	4.6639	2.1421	1.1031	2.5323	2.5323		1.7874	1.7874
H10	3.9796	2.6018	4.7333	4.4969	2.1577	1.1021	2.5326	3.0994	1.7874		1.7872
H11	3.9796	2.6018	4.7333	4.4969	2.1577	1.1021	3.0994	2.5326	1.7874	1.7872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	111.937	O2	N1	O3	112.980
O2	N1	O4	116.316	O2	C5	C6	104.884
O2	C5	H7	109.056	O2	C5	H8	109.056
O3	N1	O4	130.705	C5	C6	H9	109.737
C5	C6	H10	111.037	C5	C6	H11	111.037
C6	C5	H7	112.965	C6	C5	H8	112.965
H7	C5	H8	107.796	H9	C6	H10	108.295
H9	C6	H11	108.295	H10	C6	H11	108.351

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	N	0.338
2	O	-0.289
3	O	-0.195
4	O	-0.211
5	C	-0.127
6	C	-0.522
7	H	0.208
8	H	0.208
9	H	0.189
10	H	0.201
11	H	0.201

	x	y	z	Total
	-3.490	0.167	0.000	3.494
CHELPG
AIM
ESP

	x	y	z
x	8.755	-0.308	0.000
y	-0.308	6.254	0.000
z	0.000	0.000	3.986

<r²>	181.604
(<r²>)^1/2	13.476

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

using model chemistry: LSDA/6-31G

States and conformations

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