%chk=000045268.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045268

0 1
 O   0.4711000      0.7969000     -0.3730000    
 O   -1.438900      -1.478700       1.577500    
 O   0.1805000      0.6887000       1.910900    
 N    4.078200      0.2189000      0.2955000    
 C    1.848200       1.138100     -0.2550000    
 C    2.366500       1.643100      -1.599000    
 C    2.642400     -7.9800002E-02  0.2258000    
 C    3.871300       1.871400      -1.536900    
 C    4.599500      0.6307000      -1.015700    
 C    4.818200     -0.9372000      0.8009000    
 C   -1.252400     -0.6311000      0.4408000    
 C  -0.1273000      0.3546000      0.7730000    
 C  -0.8409000      -1.526500     -0.7563000    
 C    4.314600      -1.354700       2.172100    
 C   -2.565900      0.1326000      0.2625000    
 C   -1.818800      -2.667800      -1.075500    
 C   -2.896900      0.5905000     -0.9923000    
 C   -3.367000      0.3324000       1.363500    
 C   -1.294300      -3.542700      -2.205300    
 C   -4.094600       1.286600      -1.155100    
 C   -4.564900       1.028400       1.200500    
 C   -4.928500       1.505500     -5.8800001E-02
 H    1.942100       1.955500      0.4738000    
 H    2.128300      0.9148000      -2.385000    
 H    1.848300       2.567400      -1.879900    
 H    2.265900     -0.3585000       1.211500    
 H    2.447200     -0.9372000     -0.4332000    
 H    4.085400       2.725700     -0.8821000    
 H    4.247300       2.130200      -2.533100    
 H    4.505700     -0.1835000      -1.746500    
 H    5.666100      0.8721000     -0.9322000    
 H    4.760400      -1.790500      0.1134000    
 H    5.877400     -0.6688000      0.8981000    
 H   0.1252000      -1.992000     -0.5129000    
 H  -0.6616000     -0.9450000      -1.668100    
 H    4.202000     -0.4977000       2.844800    
 H    3.367300      -1.900700       2.123700    
 H    5.039600      -2.035200       2.633200    
 H   -2.796700      -2.268400      -1.363200    
 H   -1.971900      -3.293800     -0.1895000    
 H  -0.6302000      -2.006000       1.695600    
 H   -2.262700      0.4559000      -1.860500    
 H   -3.104400     -7.6000001E-03   2.359900    
 H  -0.3336000      -3.994600      -1.938700    
 H   -2.001700      -4.350200      -2.418500    
 H   -1.158300      -2.959500      -3.121700    
 H   -4.375800       1.662700      -2.134500    
 H   -5.212300       1.203600       2.054800    
 H   -5.860000       2.049400     -0.1851000    


%chk=000045268-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045268

0 1
O 0.584034 0.052868 -0.234037
O -1.931776 -1.828357 1.625087
O 0.246115 -0.339197 2.038558
N 4.302736 0.410768 0.344266
C 1.881570 0.767264 0.052021
C 2.113410 1.726295 -1.117940
C 3.005147 -0.281180 0.167198
C 3.515228 2.367469 -0.977748
C 4.601527 1.284870 -0.818686
C 5.423795 -0.513143 0.660535
C -1.471949 -1.095468 0.443330
C -0.129719 -0.425657 0.840283
C -1.260518 -2.129786 -0.698324
C 5.276681 -1.213034 2.024077
C -2.491275 0.005699 0.053953
C -2.539419 -2.927249 -1.031196
C -2.267785 0.851559 -1.063143
C -3.685358 0.148762 0.799434
C -2.282023 -3.986194 -2.124390
C -3.223169 1.827636 -1.421794
C -4.639786 1.127831 0.440506
C -4.413206 1.971576 -0.670463
H 1.777297 1.300690 1.013744
H 2.054980 1.153180 -2.064537
H 1.323310 2.498043 -1.144124
H 2.809158 -0.923888 1.040446
H 2.992108 -0.922224 -0.753676
H 3.539468 3.028368 -0.090693
H 3.733841 2.988535 -1.866373
H 4.674050 0.690742 -1.769041
H 5.585171 1.760874 -0.650746
H 5.558303 -1.283272 -0.143561
H 6.346893 0.097498 0.672516
H -0.464081 -2.830475 -0.378970
H -0.893041 -1.600540 -1.596910
H 5.097220 -0.467378 2.818187
H 4.445118 -1.939631 2.038503
H 6.201850 -1.767852 2.264809
H -3.333936 -2.231661 -1.363861
H -2.905671 -3.412653 -0.108209
H -1.419396 -1.474299 2.405845
H -1.345154 0.753867 -1.644831
H -3.854836 -0.524189 1.644762
H -1.512206 -4.712959 -1.802058
H -3.202816 -4.552136 -2.356254
H -1.929206 -3.516866 -3.062730
H -3.038866 2.475703 -2.286407
H -5.561121 1.227128 1.025865
H -5.153597 2.730063 -0.949022


