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	hartrees
Energy at 0K	-70.500653
Energy at 298.15K	-70.508885
HF Energy	-70.500653
Nuclear repulsion energy	142.604106

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3282	2965	52.30
2	A'	3269	2953	1.52
3	A'	3203	2894	22.70
4	A'	1834	1657	804.74
5	A'	1658	1498	0.21
6	A'	1629	1472	5.00
7	A'	1588	1434	73.50
8	A'	1552	1402	157.16
9	A'	1498	1354	189.03
10	A'	1238	1119	18.58
11	A'	1172	1059	261.46
12	A'	1090	984	14.11
13	A'	989	893	3.61
14	A'	810	732	2.73
15	A'	630	569	18.87
16	A'	415	375	7.37
17	A'	247	224	0.56
18	A"	3338	3016	41.22
19	A"	3286	2969	18.67
20	A"	1615	1459	5.40
21	A"	1407	1271	1.81
22	A"	1287	1162	4.89
23	A"	893	806	16.39
24	A"	873	789	9.73
25	A"	266	240	0.57
26	A"	127	114	0.78
27	A"	107	97	1.26

Atom	x (Å)	y (Å)	z (Å)
N1	1.091	-0.258	0.000
O2	0.000	0.519	0.000
O3	2.115	0.344	0.000
O4	0.938	-1.447	0.000
C5	-1.273	-0.173	0.000
C6	-2.328	0.924	0.000
H7	-1.329	-0.796	0.882
H8	-1.329	-0.796	-0.882
H9	-3.312	0.464	0.000
H10	-2.239	1.549	0.882
H11	-2.239	1.549	-0.882

	N1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11
N1		1.3395	1.1882	1.1981	2.3655	3.6181	2.6315	2.6315	4.4620	3.8904	3.8904
O2	1.3395		2.1222	2.1776	1.4488	2.3635	2.0673	2.0673	3.3127	2.6179	2.6179
O3	1.1882	2.1222		2.1433	3.4272	4.4811	3.7339	3.7339	5.4286	4.6031	4.6031
O4	1.1981	2.1776	2.1433		2.5512	4.0357	2.5179	2.5179	4.6595	4.4547	4.4547
C5	2.3655	1.4488	3.4272	2.5512		1.5224	1.0813	1.0813	2.1364	2.1628	2.1628
C6	3.6181	2.3635	4.4811	4.0357	1.5224		2.1760	2.1760	1.0862	1.0847	1.0847
H7	2.6315	2.0673	3.7339	2.5179	1.0813	2.1760		1.7637	2.5094	2.5157	3.0724
H8	2.6315	2.0673	3.7339	2.5179	1.0813	2.1760	1.7637		2.5094	3.0724	2.5157
H9	4.4620	3.3127	5.4286	4.6595	2.1364	1.0862	2.5094	2.5094		1.7629	1.7629
H10	3.8904	2.6179	4.6031	4.4547	2.1628	1.0847	2.5157	3.0724	1.7629		1.7639
H11	3.8904	2.6179	4.6031	4.4547	2.1628	1.0847	3.0724	2.5157	1.7629	1.7639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O2	C5	116.013	O2	N1	O3	114.056
O2	N1	O4	118.111	O2	C5	C6	105.371
O2	C5	H7	108.722	O2	C5	H8	108.722
O3	N1	O4	127.833	C5	C6	H9	108.815
C5	C6	H10	110.994	C5	C6	H11	110.994
C6	C5	H7	112.283	C6	C5	H8	112.283
H7	C5	H8	109.286	H9	C6	H10	108.592
H9	C6	H11	108.592	H10	C6	H11	108.791

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

using model chemistry: HF/CEP-121G*

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	0.709
2	O	-0.292
3	O	-0.364
4	O	-0.395
5	C	-0.072
6	C	-0.494
7	H	0.184
8	H	0.184
9	H	0.177
10	H	0.181
11	H	0.181

	x	y	z	Total
	-4.246	0.282	0.000	4.256
CHELPG
AIM
ESP

	x	y	z
x	7.457	0.231	0.000
y	0.231	6.262	0.000
z	0.000	0.000	4.397

<r²>	141.401
(<r²>)^1/2	11.891

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

using model chemistry: HF/CEP-121G*

States and conformations

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