%chk=000063308.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063308

0 1
 O   -3.995800      -1.312500      -1.264500    
 O    5.341300     -0.3695000     -0.8786000    
 O   0.5428000      -5.202500      0.1064000    
 O    6.184500       2.277500     -0.9477000    
 N   -2.387200     -0.4592000      0.2299000    
 N   0.3692000      0.9261000       1.167700    
 N   -2.569300       1.802900      0.9443000    
 C   -1.974000      0.6503000      0.9714000    
 C  -0.8005000      0.5368000       1.923000    
 C   -4.255400      0.8946000     -0.5741000    
 C   -3.554300     -0.4065000     -0.5614000    
 C   -1.631500      -1.681300      0.1980000    
 C    1.578800      0.8474000       1.982500    
 C   -3.718000       1.951400      0.1607000    
 C    2.808000       1.225800       1.199800    
 C   -5.421200       1.069400      -1.329300    
 C   -4.363300       3.193200      0.1327000    
 C   -1.919800      -2.689600       1.109300    
 C  -0.6230000      -1.840500     -0.7439000    
 C    3.512000      0.2439000      0.5169000    
 C    3.219700       2.550800       1.172800    
 C   -6.054400       2.311300      -1.348100    
 C   -5.525600       3.373400     -0.6186000    
 C    4.651200      0.5944000     -0.2078000    
 C   -1.187500      -3.876500       1.078000    
 C   0.1091000      -3.027400     -0.7754000    
 C  -0.1730000      -4.045400      0.1357000    
 C    5.074400       1.923100     -0.2423000    
 C    4.358700       2.901300      0.4481000    
 C    4.842300      -1.703000     -0.7922000    
 C    5.994800       2.648200      -2.311700    
 C    1.566900      -5.307800     -0.8815000    
 H  -0.7079000     -0.4764000       2.320700    
 H  -0.9640000       1.215900       2.768700    
 H    1.705500     -0.1698000       2.375900    
 H    1.493200       1.503800       2.858700    
 H   0.2549000       1.882500      0.8306000    
 H   -5.847800      0.2552000      -1.908500    
 H   -3.964300       4.030000      0.7014000    
 H   -2.708200      -2.566400       1.846800    
 H  -0.3970000      -1.052200      -1.457000    
 H    3.132100     -0.7701000      0.5784000    
 H    2.668400       3.320500       1.705600    
 H   -6.958900       2.450900      -1.932900    
 H   -6.018200       4.341100     -0.6326000    
 H   -1.411600      -4.665600       1.790500    
 H   0.8836000      -3.091400      -1.532200    
 H    4.682800       3.938300      0.4257000    
 H    3.846000      -1.791500      -1.239000    
 H    4.873700      -2.080400      0.2356000    
 H    5.512100      -2.336300      -1.383300    
 H    5.349100       3.529200      -2.383200    
 H    5.563000       1.818500      -2.880400    
 H    6.970800       2.894300      -2.738900    
 H    2.352400      -4.559900     -0.7280000    
 H    1.153400      -5.273200      -1.895100    
 H    2.033500      -6.290900     -0.7599000    


%chk=000063308-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063308

0 1
O -3.738732 -1.659625 -1.300135
O 4.258757 0.942492 -2.250840
O 0.270105 -5.594192 1.046646
O 6.532172 1.920354 -0.829846
N -2.325867 -0.606230 0.271149
N 0.430538 0.958901 1.278835
N -2.556400 1.738145 0.810360
C -1.964196 0.563343 0.975953
C -0.810410 0.519141 1.962467
C -4.052749 0.710294 -0.875409
C -3.409086 -0.603417 -0.690398
C -1.623294 -1.869679 0.465891
C 1.667726 0.761852 2.068498
C -3.602866 1.840175 -0.122248
C 2.920035 1.117080 1.273629
C -5.117191 0.849492 -1.804511
C -4.234091 3.100656 -0.313796
C -2.319273 -2.978045 1.007260
C -0.271592 -1.999556 0.088244
C 2.965487 0.903676 -0.126249
C 4.068793 1.616154 1.928291
C -5.730505 2.099758 -1.985841
C -5.285388 3.226582 -1.236519
C 4.137878 1.172583 -0.867485
C -1.657277 -4.203007 1.186861
C 0.405078 -3.225782 0.272313
C -0.291688 -4.331269 0.821818
C 5.295792 1.686173 -0.202399
C 5.240702 1.895541 1.191617
C 3.099846 0.376507 -2.945921
C 6.543337 2.756698 -2.048208
C 1.672550 -5.791420 0.668126
H -0.653578 -0.504065 2.343694
H -1.091650 1.171135 2.818594
H 1.698323 -0.311908 2.351102
H 1.671707 1.336054 3.026821
H 0.334497 1.928220 0.943429
H -5.435657 -0.036772 -2.362939
H -3.876755 3.951121 0.274669
H -3.376696 -2.881643 1.269874
H 0.257130 -1.128729 -0.311047
H 2.062132 0.524928 -0.613212
H 4.051250 1.794375 3.009760
H -6.551944 2.210547 -2.701494
H -5.768648 4.199219 -1.381056
H -2.174376 -5.073823 1.599758
H 1.457515 -3.303320 -0.015260
H 6.140236 2.285863 1.677910
H 2.223928 1.051053 -2.888234
H 2.830642 -0.615482 -2.533987
H 3.418023 0.268783 -3.993354
H 6.113733 3.755026 -1.834874
H 5.984044 2.273866 -2.865586
H 7.607852 2.857244 -2.309866
H 2.341928 -5.119288 1.239289
H 1.821463 -5.631460 -0.417193
H 1.893210 -6.838119 0.922747


