%chk=000161246.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161246

0 1
 O   0.6800000     -0.4286000     -6.1500002E-02
 O  -0.8406000       1.340700     -7.1199998E-02
 O    3.836000       2.109600      0.6238000    
 O    4.318400     -0.5634000     -0.4109000    
 O    1.296500       3.151400     -0.4436000    
 O    3.093700      -2.965000     -0.3224000    
 O    1.066400      -2.831500      0.7112000    
 O   -3.074400      0.9908000       2.492200    
 N   -1.746500     -0.8776000       2.428700    
 C    2.911300       1.377500     -0.1820000    
 C    3.081300     -0.1086000      0.1349000    
 C    1.488400       1.851900      0.1150000    
 C    1.948200     -0.9240000     -0.4756000    
 C   0.4516000      0.9094000     -0.4967000    
 C    1.956600      -2.325000      4.4500001E-02
 C   -1.907600      0.6081000     -0.5142000    
 C   -2.762700     -1.9300001E-02  0.3875000    
 C   -2.126700      0.4987000      -1.884900    
 C   -3.844900     -0.7619000     -8.4700003E-02
 C   -3.208900     -0.2439000      -2.357100    
 C   -4.068200     -0.8742000      -1.457000    
 C   -2.548000      8.5000001E-02   1.824100    
 H    3.172800       1.592200      -1.225600    
 H    3.132600     -0.2546000       1.220900    
 H    1.332400       1.940500       1.197400    
 H    1.988500     -0.9665000      -1.571100    
 H   0.5133000      0.9642000      -1.591500    
 H    4.727100       1.778700      0.4178000    
 H    1.977400       3.733400     -6.4800002E-02
 H    4.286300     -0.4397000      -1.374900    
 H   -1.482100      0.9980000      -2.602200    
 H    3.119100      -3.887200      1.1200000E-02
 H   -4.521700      -1.257400      0.6067000    
 H   -3.385600     -0.3275000      -3.425400    
 H   -4.911500      -1.451400      -1.824800    
 H   -1.312300      -1.627200       1.899400    
 H   -1.568600     -0.8566000       3.427300    


%chk=000161246-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161246

0 1
O 1.034502 -0.734874 0.507301
O -0.796659 0.608099 0.409793
O 3.558595 2.390241 -0.707798
O 4.625626 -0.267312 -0.584962
O 0.765183 2.544539 -1.231514
O 4.136516 -2.616600 0.745078
O 2.090147 -2.886463 1.823434
O -4.023605 -1.773000 1.969180
N -1.751177 -1.352842 2.113035
C 2.748838 1.174519 -0.779875
C 3.353922 0.041264 0.061216
C 1.344625 1.575590 -0.304552
C 2.354697 -1.160349 0.044561
C 0.421822 0.346709 -0.301658
C 2.773188 -2.297074 0.976427
C -2.042843 0.485536 -0.283471
C -3.072445 -0.314838 0.281218
C -2.240214 1.241807 -1.459837
C -4.325160 -0.323102 -0.388251
C -3.490457 1.193665 -2.111472
C -4.538375 0.411304 -1.570918
C -2.982603 -1.189567 1.522133
H 2.691080 0.817196 -1.832807
H 3.499131 0.378053 1.109339
H 1.401337 1.984379 0.724665
H 2.315501 -1.557453 -0.995808
H 0.221102 -0.004931 -1.336700
H 4.484175 2.156524 -0.976396
H 1.410927 3.292872 -1.318449
H 5.002042 -1.085709 -0.161586
H -1.428857 1.884547 -1.818584
H 4.409595 -3.371500 1.333373
H -5.113529 -0.935664 0.061739
H -3.648693 1.780553 -3.022890
H -5.514692 0.379750 -2.065669
H -0.909235 -0.894469 1.758314
H -1.696408 -1.982401 2.912894


