%chk=000001734.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001734

1 1
 O   -1.123200     -0.2039000      0.9371000    
 O   0.2500000       1.415400       1.826900    
 N   -4.200500      0.4153000     -0.8130000    
 C   -3.036800       1.409300     -0.7287000    
 C   -3.863400     -0.8797000     -6.5700002E-02
 C   -2.302000      0.3930000       1.474800    
 C   -2.622600       1.676800      0.7155000    
 C   -3.445500     -0.6108000       1.377500    
 C   -4.422700      6.7599997E-02  -2.290800    
 C   -5.497700       1.034300     -0.2931000    
 C   1.0800000E-02  0.5671000      0.9767000    
 C   0.9525000      0.1700000     -0.1559000    
 C    2.224200       1.005400     -0.2210000    
 C    1.249500      -1.323900     -0.1865000    
 C    2.227500       2.155000     -0.9835000    
 C    1.520300      -1.923800      -1.398600    
 C    3.333000      0.5868000      0.4847000    
 C    1.238600      -2.029100      0.9987000    
 C    3.392100       2.920400      -1.043100    
 C    1.792600      -3.291500      -1.426700    
 C    4.497600       1.352200      0.4251000    
 C    1.510900      -3.396900      0.9704000    
 C    4.527000       2.519000     -0.3387000    
 C    1.787900      -4.028000     -0.2423000    
 H   -3.354700       2.333900      -1.223700    
 H   -2.202500      0.9798000      -1.295600    
 H   -3.048500      -1.366500     -0.6150000    
 H   -4.746800      -1.527100     -0.1060000    
 H   -2.124000      0.6151000       2.534300    
 H   -1.775600       2.370000      0.6999000    
 H   -3.426400       2.209000       1.237300    
 H   -4.302900     -0.2543000       1.958900    
 H   -3.135100      -1.563300       1.824400    
 H   -5.250800     -0.6444000      -2.357300    
 H   -4.662600      0.9891000      -2.829800    
 H   -3.504600     -0.3773000      -2.686000    
 H   -6.301600      0.3023000     -0.4170000    
 H   -5.387500       1.291900      0.7614000    
 H   -5.708900       1.933600     -0.8793000    
 H   0.3745000      0.3905000      -1.067800    
 H    1.347800       2.477100      -1.532500    
 H    1.526600      -1.357600      -2.325000    
 H    3.342400     -0.2998000       1.108000    
 H    1.048900      -1.562600       1.960100    
 H    3.414800       3.829500      -1.636800    
 H    2.008800      -3.782900      -2.370900    
 H    5.380100       1.043200      0.9779000    
 H    1.512600      -3.969800       1.893200    
 H    5.433400       3.115800     -0.3838000    
 H    2.001200      -5.092700     -0.2640000    


%chk=000001734-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001734

1 1
O -1.683736 -1.121373 0.072582
O -0.488369 -1.481730 2.036034
N -3.527291 1.788580 -0.604569
C -2.416944 1.709852 0.478233
C -3.750507 0.383886 -1.221533
C -2.892332 -0.755734 0.870367
C -2.688329 0.625356 1.528642
C -4.023122 -0.702958 -0.168677
C -3.057099 2.733870 -1.707569
C -4.823649 2.329866 -0.013155
C -0.495729 -1.412430 0.792522
C 0.661316 -1.508815 -0.205878
C 0.964402 -0.056953 -0.656078
C 1.903322 -2.265688 0.275054
C 0.623899 0.365138 -1.966239
C 2.642697 -2.984789 -0.699447
C 1.570113 0.869211 0.231000
C 2.379149 -2.233911 1.610805
C 0.890066 1.689802 -2.387716
C 3.834462 -3.656985 -0.353670
C 1.826196 2.195669 -0.185229
C 3.570494 -2.911224 1.956561
C 1.487468 2.611530 -1.495133
C 4.303961 -3.620572 0.979406
H -2.344440 2.713669 0.930318
H -1.480227 1.492499 -0.063082
H -2.822539 0.144343 -1.766451
H -4.582367 0.481386 -1.939588
H -3.063260 -1.529949 1.637534
H -1.821882 0.588905 2.210812
H -3.566118 0.864077 2.157373
H -4.993783 -0.558876 0.339190
H -4.082654 -1.667901 -0.701981
H -3.813718 2.760906 -2.507308
H -2.923567 3.741620 -1.284297
H -2.096765 2.370026 -2.104606
H -5.579671 2.395805 -0.810904
H -5.184310 1.663425 0.781335
H -4.634120 3.330575 0.404657
H 0.252513 -2.035886 -1.087469
H 0.182835 -0.353511 -2.668255
H 2.287979 -3.016666 -1.737633
H 1.870678 0.546945 1.234146
H 1.809173 -1.716643 2.387354
H 0.667515 1.990374 -3.418256
H 4.391320 -4.208802 -1.118406
H 2.311790 2.896532 0.502416
H 3.922911 -2.887864 2.993468
H 1.714345 3.631042 -1.825143
H 5.226625 -4.143129 1.253163


