%chk=000025597.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025597

0 1
 O   -2.853900      -1.593200      0.7496000    
 O    2.287300       1.949700     -0.5072000    
 N   -4.319600     -0.6455000     -0.7799000    
 N   0.4512000      5.4299999E-02  -1.338600    
 N    1.711800     -0.2702000     -0.8608000    
 N    6.419800     -0.4717000      0.9175000    
 C   -6.092800     -0.1747000      0.8703000    
 C   -5.530300      -1.139300     -0.1685000    
 C   -6.464800       1.183400      0.2711000    
 C   -1.960200     -0.2886000      -1.084500    
 C  -0.5739000     -0.5833000     -0.5216000    
 C   -3.064700     -0.9215000     -0.2566000    
 C   -7.077800       2.102300       1.316300    
 C    2.558400      0.7519000     -0.4691000    
 C    3.898800      0.3271000      1.2000000E-02
 C    4.985700       1.187000     -0.1006000    
 C    4.070900     -0.9317000      0.5771000    
 C    6.213900      0.7439000      0.3630000    
 C    5.340100      -1.279900       1.010400    
 H   -6.981200     -0.6284000       1.325700    
 H   -5.359600     -2.8200001E-02   1.673100    
 H   -6.256400      -1.301700     -0.9722000    
 H   -5.327200      -2.108400      0.3002000    
 H   -7.179400       1.044900     -0.5486000    
 H   -5.577800       1.670700     -0.1492000    
 H   -2.134600      0.7943000      -1.112700    
 H   -2.042600     -0.6701000      -2.109900    
 H   -4.400900     -7.5599998E-02  -1.616900    
 H  -0.5121000     -0.2141000      0.5100000    
 H  -0.4174000      -1.669400     -0.4889000    
 H   -6.376500       2.285900       2.136600    
 H   -7.336600       3.066700      0.8682000    
 H   -7.990600       1.666700       1.735100    
 H   0.3970000     -0.2972000      -2.294100    
 H    1.983700      -1.247500     -0.8882000    
 H    4.895100       2.175100     -0.5386000    
 H    3.259000      -1.636000      0.7174000    
 H    7.093400       1.375900      0.2970000    
 H    5.526200      -2.247700       1.464500    


%chk=000025597-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025597

0 1
O -3.237431 -2.448597 -0.503440
O 2.158047 1.692630 -1.336917
N -4.344908 -0.480389 -1.081264
N 0.460341 -0.564603 -1.708884
N 1.679181 -0.585555 -1.005415
N 6.044757 0.183188 1.617013
C -5.913167 -0.124354 0.867997
C -5.628880 -0.860404 -0.462287
C -6.072456 1.406287 0.720562
C -1.991509 -0.752131 -1.769006
C -0.723559 -0.971334 -0.918190
C -3.232876 -1.304848 -1.057212
C -6.408155 2.099683 2.058666
C 2.435619 0.575025 -0.822171
C 3.669887 0.382564 0.037595
C 4.761285 1.261814 -0.168656
C 3.783825 -0.586333 1.067569
C 5.916340 1.122769 0.629865
C 4.978416 -0.645043 1.822320
H -6.844416 -0.546220 1.298323
H -5.100324 -0.351001 1.585165
H -6.445387 -0.662451 -1.184879
H -5.575860 -1.949182 -0.289042
H -6.871342 1.621406 -0.019362
H -5.136428 1.841345 0.313545
H -2.088677 0.320244 -2.016605
H -1.887838 -1.304114 -2.726146
H -4.262899 0.440208 -1.515175
H -0.758308 -0.335316 -0.015937
H -0.699833 -2.033792 -0.585768
H -5.612182 1.922920 2.806033
H -6.517346 3.192249 1.932638
H -7.354618 1.710877 2.479260
H 0.536013 -1.021523 -2.627971
H 2.028982 -1.473262 -0.619985
H 4.685345 2.039880 -0.933913
H 2.960124 -1.262753 1.321984
H 6.779062 1.782811 0.487987
H 5.092576 -1.376798 2.630104


