%chk=000052878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052878

0 1
 O   0.3092000      0.6033000       2.239600    
 O  -0.4877000       1.728200      -2.152800    
 N    1.469900       1.506900     -0.9048000    
 N  -0.4802000       1.140300      0.1099000    
 N   -3.818600     -0.5150000      0.2329000    
 C    2.696800     -0.1069000      0.4795000    
 C    1.860000       1.170600      0.4471000    
 C    4.091700      0.1438000     -0.1093000    
 C    1.983600      -1.241100     -0.2691000    
 C    4.929700      -1.132300     -0.1369000    
 C    2.825200      -2.514900     -0.2964000    
 C    4.213800      -2.259900     -0.8742000    
 C   0.4838000      0.9290000       1.072000    
 C    2.558000       2.341400       1.126300    
 C   8.8200003E-02   1.485300      -1.100100    
 C   -1.908000       1.008700      0.3214000    
 C   -2.387400     -0.3960000     -1.3700000E-02
 C   -4.287300      -1.864800     -8.7499999E-02
 C   -4.561200      0.4776000     -0.5464000    
 C   -3.529900      -2.912800      0.7102000    
 C   -6.049300      0.4086000     -0.2478000    
 H    2.823200     -0.4227000       1.525100    
 H    4.018500      0.5380000      -1.130100    
 H    4.641100      0.8832000      0.4832000    
 H    1.022800      -1.479900      0.2004000    
 H    1.773400     -0.9614000      -1.308500    
 H    5.893200     -0.9308000     -0.6188000    
 H    5.146900      -1.448800      0.8908000    
 H    2.920600      -2.910800      0.7223000    
 H    2.314700      -3.281900     -0.8898000    
 H    4.125200      -2.002300      -1.936800    
 H    4.811600      -3.176500     -0.8163000    
 H    2.126700       1.743000      -1.642000    
 H    1.864200       3.178900       1.271100    
 H    2.931500       2.063200       2.118100    
 H    3.391300       2.730400      0.5319000    
 H   -2.127300       1.250300       1.368000    
 H   -2.357500       1.771100     -0.3192000    
 H   -2.136600     -0.6413000      -1.054500    
 H   -1.814900      -1.078700      0.6239000    
 H   -5.339200      -1.984000      0.1916000    
 H   -4.200800      -2.084900      -1.159000    
 H   -4.389000      0.3704000      -1.624600    
 H   -4.285500       1.496300     -0.2625000    
 H   -2.516200      -3.076400      0.3313000    
 H   -3.477700      -2.656200       1.773900    
 H   -4.048200      -3.875500      0.6336000    
 H   -6.530100     -0.4566000     -0.7145000    
 H   -6.247700      0.3886000      0.8294000    
 H   -6.547300       1.296500     -0.6540000    


%chk=000052878-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052878

0 1
O 0.298167 -0.123793 2.213739
O -0.531507 2.377807 -1.689306
N 1.482440 1.774287 -0.565691
N -0.466897 1.067617 0.313457
N -3.854816 -0.611227 -0.004020
C 2.803407 -0.199589 0.342110
C 1.888851 1.037819 0.653818
C 4.171671 0.217344 -0.259918
C 2.104234 -1.233059 -0.580468
C 5.074562 -1.011395 -0.530241
C 3.007190 -2.460509 -0.850704
C 4.371752 -2.041358 -1.443808
C 0.504746 0.566279 1.182155
C 2.512263 1.986148 1.710673
C 0.113223 1.814771 -0.769847
C -1.916383 0.870033 0.458167
C -2.379609 -0.514872 -0.058950
C -4.356859 -1.942930 0.424089
C -4.512719 -0.086324 -1.231318
C -4.159595 -2.198265 1.930732
C -5.935181 0.446252 -0.972960
H 2.985110 -0.687698 1.323164
H 4.002419 0.749989 -1.220494
H 4.701929 0.916544 0.413548
H 1.155193 -1.568735 -0.120044
H 1.847614 -0.745660 -1.543308
H 6.029227 -0.681195 -0.983589
H 5.328838 -1.494089 0.435959
H 3.174542 -3.006785 0.100495
H 2.490341 -3.161312 -1.534295
H 4.213038 -1.592972 -2.446482
H 5.017568 -2.928968 -1.587092
H 2.124833 2.270651 -1.179286
H 1.818830 2.813018 1.943266
H 2.711315 1.426221 2.640545
H 3.458021 2.424355 1.348501
H -2.184675 0.964868 1.523836
H -2.410973 1.675412 -0.111473
H -1.983715 -0.671011 -1.091012
H -1.933078 -1.293965 0.583341
H -5.438410 -1.980741 0.199354
H -3.883177 -2.768807 -0.165379
H -4.539016 -0.860518 -2.039752
H -3.890539 0.742284 -1.618507
H -3.093345 -2.160999 2.219282
H -4.695352 -1.432891 2.518767
H -4.547812 -3.196275 2.208322
H -6.613805 -0.345895 -0.607604
H -5.907761 1.246469 -0.213055
H -6.368900 0.854870 -1.904812


