%chk=000177583.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177583

0 1
 O   0.5495000       1.679700       1.033600    
 O    6.293900     -0.4835000     -6.9799997E-02
 O   -1.963700      -1.821600     -6.8700001E-02
 N   -1.419100      0.3690000     -0.5993000    
 C   0.7487000      0.3525000      0.5488000    
 C  -1.0000000E-03  0.1516000     -0.7739000    
 C    2.235600      0.1280000      0.3826000    
 C    2.864400     -0.8338000       1.154200    
 C    2.935100      0.8902000     -0.5369000    
 C    4.235400      -1.039900       1.001300    
 C    4.306100      0.6840000     -0.6899000    
 C   -2.320700     -0.6443000     -0.2534000    
 C    4.956400     -0.2810000      7.9300001E-02
 C   -3.721400     -0.2712000     -0.1391000    
 C   -4.717300      -1.222500     -0.3603000    
 C   -4.069400       1.038500      0.1915000    
 C   -6.061000     -0.8643000     -0.2509000    
 C   -5.413000       1.396800      0.3010000    
 C   -6.408700      0.4454000      7.9800002E-02
 C    6.970200      0.3265000      -1.030100    
 H   0.3438000     -0.3270000       1.308800    
 H   0.1655000     -0.8569000      -1.168700    
 H   0.3138000      0.8757000      -1.532600    
 H   -1.756900       1.304400     -0.7986000    
 H    2.313900      -1.430900       1.875200    
 H    2.448100       1.654900      -1.134400    
 H    4.736500      -1.793200       1.603200    
 H    4.805500       1.309800      -1.421700    
 H  -0.4098000       1.819500       1.111200    
 H   -4.467600      -2.247200     -0.6233000    
 H   -3.327300       1.802600      0.4035000    
 H   -6.836500      -1.604700     -0.4237000    
 H   -5.684500       2.414600      0.5657000    
 H   -7.454900      0.7240000      0.1666000    
 H    6.931600       1.387400     -0.7602000    
 H    6.599500      0.1425000      -2.044200    
 H    8.024600      3.1500001E-02  -1.016700    


%chk=000177583-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177583

0 1
O 0.567138 1.974262 0.612321
O 6.302464 -0.772254 -0.363832
O -1.844843 -1.533579 0.576651
N -1.500043 0.354426 -0.726020
C 0.743539 0.528672 0.399250
C -0.056473 0.081615 -0.859212
C 2.224517 0.240906 0.221685
C 2.692778 -1.097446 0.308024
C 3.150117 1.267628 -0.064946
C 4.050569 -1.401971 0.107109
C 4.520118 0.978462 -0.265811
C -2.322923 -0.511554 -0.011650
C 4.969725 -0.362003 -0.183640
C -3.793662 -0.182608 0.019560
C -4.685864 -1.222963 0.385001
C -4.314214 1.106230 -0.272192
C -6.075161 -0.988164 0.434780
C -5.705441 1.342009 -0.217913
C -6.589741 0.294312 0.129327
C 7.294057 0.266803 -0.645569
H 0.348250 -0.035775 1.268916
H 0.093932 -1.001610 -1.015280
H 0.325912 0.631882 -1.736477
H -1.920456 1.061505 -1.329368
H 1.992774 -1.907206 0.549065
H 2.791897 2.300057 -0.108072
H 4.423320 -2.428321 0.177118
H 5.215852 1.796410 -0.476401
H -0.396678 2.134951 0.777645
H -4.261512 -2.202050 0.630244
H -3.646344 1.944266 -0.507540
H -6.756163 -1.799808 0.712744
H -6.098100 2.341224 -0.435696
H -7.668891 0.478825 0.170423
H 7.359173 0.998146 0.183865
H 7.065061 0.799109 -1.589765
H 8.250618 -0.267289 -0.744447


