%chk=000053779.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053779

0 1
 O   0.4364000      0.6209000       1.846800    
 O    3.951400      0.6091000      -1.845600    
 N   -3.851400     -0.9820000     -0.2502000    
 N   -1.600500       1.900600      0.4978000    
 N    1.809800      0.8982000     -3.7000000E-02
 C   -3.299500      0.1346000      0.5094000    
 C   -2.142200      0.7701000     -0.2554000    
 C   -4.588900      -1.889200      0.6303000    
 C   -4.721400     -0.4952000      -1.322000    
 C  -0.2155000       2.159100      0.1060000    
 C   -2.421400       3.093000      0.2909000    
 C   -5.778600      -1.190400       1.266500    
 C   -5.252000      -1.644000      -2.162700    
 C   0.6952000       1.137000      0.7642000    
 C    2.886500      1.6899999E-02  0.2219000    
 C    3.936300     -0.1104000     -0.6879000    
 C    2.891100     -0.7288000       1.400800    
 C    4.990500     -0.9833000     -0.4186000    
 C    3.945400      -1.601700       1.669800    
 C    4.995000      -1.729000      0.7602000    
 C    3.333800      1.4700000E-02  -2.985100    
 H   -2.899000     -0.2190000       1.469800    
 H   -4.070200      0.8779000      0.7417000    
 H   -2.421000       1.088600      -1.266400    
 H   -1.379500     -9.8999999E-03 -0.3868000    
 H   -4.907000      -2.799200      0.1108000    
 H   -3.919300      -2.250200       1.421900    
 H   -5.543900      0.1417000     -0.9775000    
 H   -4.138500      0.1283000      -2.009000    
 H  -0.1008000       2.172300     -0.9848000    
 H   0.1212000       3.132800      0.4853000    
 H   -3.451700       2.944800      0.6278000    
 H   -2.443600       3.403600     -0.7604000    
 H   -2.031500       3.930000      0.8819000    
 H   -6.558200     -0.9185000      0.5497000    
 H   -6.251700      -1.885400       1.971200    
 H   -5.508200     -0.3084000       1.853400    
 H   -4.452800      -2.332300      -2.459100    
 H   -6.037000      -2.211100      -1.653500    
 H   -5.697600      -1.249300      -3.082900    
 H    1.885400       1.414200     -0.9107000    
 H    2.119500     -0.6893000       2.155700    
 H    5.812100      -1.087200      -1.122100    
 H    3.950300      -2.183100       2.587400    
 H    5.815900      -2.408500      0.9698000    
 H    3.862200     -0.9002000      -3.271300    
 H    2.280600     -0.2075000      -2.787000    
 H    3.390600      0.7248000      -3.814600    


%chk=000053779-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053779

0 1
O -0.015224 0.189939 1.262090
O 3.926561 0.663231 -1.675128
N -4.287697 -0.808537 -0.186664
N -1.724147 2.011841 -0.162816
N 1.709193 0.629211 -0.268785
C -3.455929 0.289612 0.364876
C -2.450809 0.829806 -0.680691
C -4.539621 -1.913923 0.771596
C -5.479599 -0.315889 -0.918409
C -0.285394 2.034498 -0.384645
C -2.393340 3.296915 -0.405638
C -5.444148 -1.575939 1.990058
C -6.147440 -1.388919 -1.799087
C 0.453736 0.852979 0.293909
C 2.704531 -0.296358 0.133469
C 3.915564 -0.285451 -0.627872
C 2.576896 -1.207271 1.208822
C 4.973055 -1.162229 -0.321079
C 3.642065 -2.086302 1.514956
C 4.832553 -2.068080 0.758914
C 5.125153 0.740223 -2.510239
H -2.859986 -0.082337 1.216178
H -4.075768 1.133818 0.754325
H -2.976258 1.063729 -1.637292
H -1.735459 0.019846 -0.903407
H -4.978031 -2.764721 0.217048
H -3.553897 -2.257796 1.137892
H -6.245743 0.126842 -0.229867
H -5.141850 0.511931 -1.571321
H 0.008640 2.055624 -1.471864
H 0.119794 2.967449 0.059620
H -3.451537 3.227326 -0.097617
H -2.375154 3.619649 -1.478716
H -1.921550 4.093462 0.199324
H -6.464675 -1.289314 1.675761
H -5.531310 -2.455209 2.655685
H -5.019553 -0.743814 2.580988
H -5.402657 -1.840887 -2.478140
H -6.600345 -2.197426 -1.197295
H -6.952729 -0.936733 -2.407286
H 1.977313 1.197282 -1.079993
H 1.648452 -1.212726 1.782374
H 5.897544 -1.151215 -0.906168
H 3.532639 -2.787138 2.349169
H 5.653363 -2.751857 0.999743
H 6.012970 1.012745 -1.907966
H 5.308170 -0.218610 -3.032000
H 4.917957 1.530818 -3.246410


