%chk=000055215.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055215

0 1
 O    4.565300       2.164700      -1.251100    
 O    6.270000      0.1879000     -0.3029000    
 N   0.1624000      -1.642900      0.7466000    
 N  -0.7435000      -1.998000      -1.593000    
 N   -3.327700      0.1461000       2.357400    
 N   -2.896900      -2.135300     -0.5831000    
 C   0.6448000     -0.2868000      0.4028000    
 C    2.148500     -0.1794000      0.2082000    
 C    1.006500      -2.282200       1.763700    
 C   0.1709000      0.7072000       1.475500    
 C    2.473600      -2.416900       1.349300    
 C    3.016000      -1.173300      0.6959000    
 C  -3.5000001E-03  -2.483900     -0.4392000    
 C   -1.311000      0.6804000       1.639600    
 C    2.689100      0.9395000     -0.4458000    
 C    4.399800      -1.038300      0.5132000    
 C   -2.242500       1.476900      0.9332000    
 C    4.067500       1.068000     -0.6148000    
 C    4.922400      7.9899997E-02 -0.1350000    
 C   -1.994500     -0.1272000       2.506300    
 C   -3.508600       1.121900       1.403300    
 C   -2.142300       2.468700     -6.2700003E-02
 C   -4.684400       1.711400      0.9253000    
 C   -2.086000      -1.657700      -1.575100    
 C   -3.309900       3.067000     -0.5503000    
 C   -4.560400       2.692700     -6.2399998E-02
 C   -2.574700     -0.8240000      -2.588500    
 C    4.722600       2.078100      -2.665900    
 C    7.000400      0.8542000      0.7256000    
 C   -3.920200     -0.4733000      -2.584100    
 C   -4.199000      -1.773100     -0.6118000    
 C   -4.754700     -0.9528000      -1.580300    
 H   0.1794000      3.5300002E-02 -0.5379000    
 H   0.6057000      -3.270500       2.021900    
 H   0.9490000      -1.705400       2.695000    
 H   0.6533000      0.5116000       2.442500    
 H   0.4795000       1.727000       1.209200    
 H    2.594700      -3.256700      0.6547000    
 H    3.066500      -2.647700       2.243000    
 H   0.9783000      -2.772000     -0.8327000    
 H  -0.4718000      -3.426500     -0.1265000    
 H    2.029000       1.717000     -0.8246000    
 H    5.071600      -1.814100      0.8738000    
 H   -1.664000     -0.8704000       3.218500    
 H  -0.2581000      -1.955200      -2.482600    
 H   -4.072100     -0.3035000       2.872200    
 H   -1.175700       2.770400     -0.4561000    
 H   -5.658300       1.419600       1.303500    
 H   -3.238800       3.831300      -1.319700    
 H   -5.454400       3.169400     -0.4562000    
 H   -1.921500     -0.4478000      -3.370500    
 H    3.754900       1.911600      -3.149600    
 H    5.133900       3.026000      -3.023500    
 H    5.417300       1.274000      -2.928200    
 H    6.658100       1.888200      0.8333000    
 H    6.895100      0.3222000       1.676400    
 H    8.057000      0.8631000      0.4445000    
 H   -4.317600      0.1742000      -3.359800    
 H   -4.806800      -2.172100      0.1935000    
 H   -5.806200     -0.6911000      -1.555900    


%chk=000055215-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055215

0 1
O 5.265688 2.396353 -0.112968
O 6.552816 -0.217020 0.261152
N 0.120546 -1.050565 -0.309368
N -2.172513 -1.078579 -1.308020
N -3.464405 0.966901 1.631406
N -2.522073 -3.313058 -0.613139
C 0.780164 0.239140 -0.101348
C 2.311443 0.100216 -0.032300
C 0.638208 -2.175147 0.480576
C 0.256676 0.987930 1.191669
C 2.115280 -2.457841 0.114988
C 2.936752 -1.172482 0.103098
C -0.713455 -1.288858 -1.475052
C -1.229830 1.208703 1.183700
C 3.119006 1.261595 -0.103805
C 4.348032 -1.233341 0.213193
C -1.982856 2.094974 0.308158
C 4.522987 1.191403 -0.032093
C 5.146052 -0.074489 0.165469
C -2.169753 0.541365 1.966868
C -3.384026 1.915853 0.607260
C -1.615293 3.025728 -0.702511
C -4.400869 2.630297 -0.065752
C -3.035541 -2.057214 -0.842067
C -2.624862 3.737554 -1.380108
C -4.003153 3.540878 -1.066648
C -4.425382 -1.763502 -0.637816
C 6.178892 2.472839 -1.277217
C 7.157275 0.458445 1.432701
C -5.278135 -2.787326 -0.198833
C -3.379317 -4.288384 -0.196007
C -4.756304 -4.088715 0.032721
H 0.526976 0.884500 -0.967671
H -0.001691 -3.054328 0.294917
H 0.568684 -1.943675 1.565166
H 0.548813 0.388759 2.074600
H 0.799218 1.950036 1.273502
H 2.148992 -2.921786 -0.892253
H 2.560801 -3.189943 0.817574
H -0.400882 -0.616801 -2.298726
H -0.596345 -2.335037 -1.805233
H 2.669999 2.252529 -0.241665
H 4.853593 -2.197026 0.345045
H -2.010530 -0.221195 2.727032
H -2.506569 -0.112191 -1.288947
H -4.323739 0.602939 2.036253
H -0.560382 3.199159 -0.945320
H -5.460152 2.492592 0.179879
H -2.352951 4.458525 -2.159001
H -4.764814 4.111307 -1.609778
H -4.805365 -0.756486 -0.846088
H 5.596678 2.455851 -2.218395
H 6.702086 3.436297 -1.177515
H 6.900297 1.635720 -1.269957
H 6.926272 1.539105 1.429440
H 6.785550 -0.000378 2.368801
H 8.241747 0.293632 1.339639
H -6.344203 -2.582571 -0.046708
H -2.924688 -5.274075 -0.036362
H -5.391444 -4.911713 0.371966


