%chk=000049611.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049611

0 1
 O   -1.131600      0.5356000     -0.7161000    
 N    3.907800     -0.2539000      0.2447000    
 N    5.480800      -1.823300     -0.4148000    
 N    6.163500      0.3492000     -0.3191000    
 C    1.171400      0.8185000     -0.1224000    
 C    2.150100       1.292900      0.9521000    
 C  -0.2748000       1.007200      0.3148000    
 C   -2.353100      4.7800001E-02 -0.3304000    
 C    3.604900       1.151500      0.5192000    
 C   -3.443800      0.9078000     -0.2463000    
 C   -2.493800      -1.302600     -2.6300000E-02
 C   -4.687400      0.4125000      0.1460000    
 C   -3.737400      -1.798100      0.3658000    
 C   -3.306600       2.359400     -0.5689000    
 C   -1.332400      -2.237300     -0.1130000    
 C   -4.834100     -0.9404000      0.4520000    
 C    5.116500     -0.5268000     -0.1372000    
 H    1.336000     -0.2400000     -0.3579000    
 H    1.341600       1.364600      -1.058700    
 H    1.986100      0.7160000       1.870800    
 H    1.951900       2.344400       1.191900    
 H  -0.4536000      0.4694000       1.254500    
 H  -0.4808000       2.069700      0.4849000    
 H    4.245200       1.528000       1.326000    
 H    3.774600       1.763700     -0.3749000    
 H   -5.550700       1.068400      0.2200000    
 H   -3.868000      -2.849200      0.6091000    
 H   -2.843700       2.891000      0.2683000    
 H   -2.700800       2.508000      -1.469000    
 H   -4.281000       2.820100     -0.7656000    
 H   -1.653000      -3.284300     -8.1200004E-02
 H  -0.7909000      -2.099200      -1.054900    
 H  -0.6469000      -2.069800      0.7236000    
 H   -5.802200      -1.326000      0.7582000    
 H    4.815900      -2.584200     -0.3273000    
 H    6.420600      -2.057400     -0.7154000    
 H    7.073500      1.9700000E-02 -0.6227000    
 H    6.069600       1.345600     -0.1579000    


%chk=000049611-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049611

0 1
O -1.099961 0.172877 -0.654622
N 4.076841 -0.069817 0.048171
N 5.794172 -1.618771 -0.376135
N 6.367459 0.657742 -0.325500
C 1.198263 0.762818 -0.111680
C 2.202815 1.254591 0.952872
C -0.207445 0.583421 0.460633
C -2.439070 -0.116666 -0.267153
C 3.647808 1.296292 0.410698
C -3.399088 0.932011 -0.247201
C -2.785468 -1.467398 0.014801
C -4.738778 0.600993 0.076718
C -4.135209 -1.755382 0.334195
C -2.998088 2.357994 -0.578154
C -1.733545 -2.559466 -0.041902
C -5.106428 -0.729910 0.372100
C 5.342935 -0.298026 -0.209364
H 1.562003 -0.195540 -0.522671
H 1.152363 1.484416 -0.951511
H 2.184061 0.575931 1.828595
H 1.917656 2.266200 1.309597
H -0.220741 -0.198421 1.249113
H -0.587651 1.528857 0.903910
H 4.311288 1.753264 1.184822
H 3.668325 1.975376 -0.475570
H -5.495546 1.394978 0.089285
H -4.423209 -2.791842 0.548306
H -2.641710 2.898407 0.321149
H -2.176643 2.370399 -1.314628
H -3.853387 2.925471 -0.984385
H -2.201113 -3.556075 -0.120557
H -1.057954 -2.407985 -0.901044
H -1.098863 -2.559224 0.865995
H -6.147306 -0.969799 0.616958
H 5.075072 -2.328947 -0.245295
H 6.522826 -1.811173 -1.062727
H 7.337196 0.395847 -0.163128
H 6.129521 1.645056 -0.312790


