%chk=000151694.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151694

1 1
 O    3.841200      -1.877000     -0.3876000    
 O   -2.944000      -3.027700     -0.2316000    
 O   -1.027200      -2.030000      0.1554000    
 N  -0.2711000      0.5740000     -0.5860000    
 N  -0.8436000      0.4186000      0.5171000    
 N   -2.270400      -1.996000     -1.6000000E-03
 N    5.254200      0.4761000      0.1208000    
 N    6.336200      0.4612000      0.2601000    
 C    1.816300       1.740500     -0.1531000    
 C    1.122700      0.5602000     -0.4064000    
 C    3.199700       1.707900      2.2800000E-02
 C    1.802400     -0.6525000     -0.4850000    
 C   -5.000200      0.5144000     -1.1400000E-02
 C   -2.233700      0.4324000      0.3385000    
 C    3.185800     -0.6850000     -0.3094000    
 C   -2.939600     -0.7434000      8.3700001E-02
 C    3.884500      0.4952000     -5.5399999E-02
 C   -4.322900     -0.7024000     -9.0999998E-02
 C    1.105200       3.051100     -6.4900003E-02
 C   -4.294400       1.690200      0.2432000    
 C   -2.911100       1.649200      0.4183000    
 C   -6.479100      0.5584000     -0.1999000    
 C    3.989200      -2.615600      0.8233000    
 H    3.751800       2.623300      0.2226000    
 H    1.275900      -1.575600     -0.7049000    
 H   -4.899300      -1.603300     -0.2890000    
 H   0.4884000       3.089000      0.8388000    
 H    1.806200       3.892000     -2.4700001E-02
 H   0.4693000       3.207200     -0.9428000    
 H   -4.809900       2.644600      0.3095000    
 H   -2.371000       2.571300      0.6173000    
 H   -6.792800     -0.1347000     -0.9878000    
 H   -6.984800      0.2872000      0.7322000    
 H   -6.815300       1.557000     -0.4989000    
 H    3.009200      -2.895300       1.222700    
 H    4.545500      -2.035100       1.566000    
 H    4.549600      -3.528000      0.6017000    


%chk=000151694-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151694

1 1
O 3.908104 -1.688172 0.236235
O -2.788120 -3.234444 0.684185
O -0.943650 -2.197324 -0.171766
N -0.060556 1.205627 -0.106655
N -0.804154 0.263056 0.398812
N -2.178984 -2.193900 0.239552
N 5.441799 0.492271 0.118259
N 6.590546 0.297586 0.140620
C 2.170067 2.200470 0.000785
C 1.332157 1.022377 0.052792
C 3.551860 2.009932 0.027831
C 1.863804 -0.295420 0.120730
C -5.052737 0.257953 -0.036669
C -2.190293 0.310989 0.126405
C 3.250777 -0.492171 0.150946
C -2.918085 -0.916528 0.180455
C 4.096712 0.682952 0.099697
C -4.317461 -0.950566 0.109139
C 1.558897 3.580953 -0.067343
C -4.328002 1.481218 -0.122438
C -2.924283 1.515359 -0.040758
C -6.562419 0.236748 -0.092726
C 3.110486 -2.945218 0.283619
H 4.232594 2.865602 -0.005158
H 1.159402 -1.132420 0.146837
H -4.825759 -1.919234 0.142388
H 0.990151 3.808080 0.852609
H 2.329313 4.358361 -0.192194
H 0.845818 3.650016 -0.907464
H -4.880822 2.418529 -0.246090
H -2.377921 2.463187 -0.063429
H -6.937343 -0.638114 -0.651164
H -6.987196 0.171818 0.928136
H -6.968251 1.148541 -0.560572
H 2.500375 -3.041214 -0.630479
H 2.473851 -2.954522 1.184475
H 3.862221 -3.742977 0.332998


