%chk=000077271.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077271

0 1
 O    7.622300     -0.6021000     -0.5987000    
 N    1.469500       1.266300     -0.1293000    
 N    4.347900       1.003100     -6.9200002E-02
 N   -1.754100      7.9999998E-02  0.7498000    
 C    2.289400       2.066600      0.7884000    
 C    2.230100      0.9353000      -1.340500    
 C    3.587100       1.332100       1.142300    
 C    3.528400      0.2020000     -0.9867000    
 C   0.2335000       1.969000     -0.4684000    
 C  -0.6135000       2.269000      0.7722000    
 C   -1.010200       1.036900       1.584700    
 C    5.584900      0.3019000      0.2689000    
 C   -3.004600      0.5009000      0.2190000    
 C   -1.174200      -1.214300      0.7062000    
 C   -3.642400     -0.1022000     -0.8924000    
 C   -1.063100      -1.933000     -0.4957000    
 C   -3.079900      -1.224600      -1.738700    
 C   -1.565000      -1.340600      -1.780800    
 C    6.425000      6.4900003E-02 -0.9759000    
 C   -3.707300       1.561500      0.8519000    
 C  -0.6770000      -1.820100       1.880700    
 C   -4.927500      0.3432000      -1.291200    
 C  -0.4717000      -3.209000     -0.5086000    
 C   -4.965000       1.999600      0.4300000    
 C  -9.3000002E-02  -3.088000       1.861000    
 C   -5.580300       1.384600     -0.6431000    
 C   1.0600000E-02  -3.782900      0.6642000    
 H    1.780700       2.241400       1.740900    
 H    2.525800       3.047100      0.3533000    
 H    1.630500      0.2819000      -1.986100    
 H    2.462400       1.841100      -1.917100    
 H    4.186000       1.983600       1.790300    
 H    3.353400      0.4249000       1.716500    
 H    3.293900     -0.7796000     -0.5531000    
 H    4.035600      3.2000002E-02  -1.940700    
 H   0.4592000       2.919900     -0.9703000    
 H  -0.3566000       1.389800      -1.180300    
 H  -0.1125000       2.986300       1.432100    
 H   -1.495800       2.817300      0.4255000    
 H   -1.574200       1.310900       2.484000    
 H  -7.7299997E-02  0.6136000       1.977200    
 H    5.387900     -0.6533000      0.7739000    
 H    6.177600      0.8992000      0.9739000    
 H   -3.533100      -2.167500      -1.404900    
 H   -3.406800      -1.065700      -2.775600    
 H   -1.081900     -0.3846000      -1.992200    
 H   -1.292500      -1.999100      -2.615800    
 H    6.691800       1.010000      -1.460700    
 H    5.939100     -0.5873000      -1.704500    
 H   -3.316000       2.067600       1.730200    
 H  -0.7663000      -1.321100       2.843800    
 H   -5.427800     -0.1293000      -2.135300    
 H  -0.3843000      -3.765200      -1.438900    
 H   -5.462100       2.810100      0.9546000    
 H   0.2739000      -3.530900       2.782100    
 H   -6.561400       1.708400     -0.9755000    
 H   0.4634000      -4.769400      0.6424000    
 H    8.148100     -0.7259000      -1.407300    


%chk=000077271-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077271

0 1
O 8.038647 -0.337304 -0.139083
N 1.685773 1.452060 -0.107594
N 4.551833 1.010101 -0.020243
N -1.786742 0.018218 0.556311
C 2.608663 2.484922 0.421470
C 2.366124 0.629924 -1.137624
C 3.870639 1.831901 1.009978
C 3.623948 -0.024614 -0.543702
C 0.381147 2.001793 -0.551005
C -0.587634 2.246013 0.628138
C -0.929822 0.930328 1.365482
C 5.844904 0.451467 0.441785
C -3.126139 0.426327 0.235981
C -1.340313 -1.349886 0.470810
C -3.911282 -0.121589 -0.836840
C -1.348041 -2.046814 -0.770088
C -3.458982 -1.190158 -1.834048
C -1.930306 -1.374732 -1.991391
C 6.811902 0.229052 -0.728956
C -3.716948 1.459111 1.031092
C -0.824152 -1.994372 1.627386
C -5.229675 0.368756 -1.028258
C -0.856821 -3.373212 -0.818832
C -5.025472 1.925960 0.812310
C -0.323613 -3.311072 1.559298
C -5.804814 1.373781 -0.226556
C -0.339142 -4.010516 0.330836
H 2.095142 3.061058 1.213007
H 2.916121 3.201719 -0.382224
H 1.669452 -0.159863 -1.475710
H 2.664144 1.240442 -2.027436
H 4.566618 2.620873 1.351116
H 3.574704 1.220178 1.900046
H 3.309537 -0.732959 0.264157
H 4.136037 -0.609739 -1.329119
H 0.507320 2.948178 -1.133412
H -0.084650 1.265078 -1.232474
H -0.131148 2.943290 1.358833
H -1.502696 2.736814 0.248470
H -1.370351 1.142303 2.362094
H 0.029503 0.412656 1.531243
H 5.723165 -0.509049 0.997871
H 6.315696 1.170130 1.137319
H -3.894092 -2.171140 -1.553486
H -3.894879 -0.931012 -2.818551
H -1.462424 -0.383467 -2.152655
H -1.730877 -1.987774 -2.889373
H 7.009060 1.199129 -1.228975
H 6.375064 -0.470196 -1.473236
H -3.149121 1.892061 1.857957
H -0.834123 -1.467580 2.587520
H -5.815010 -0.056257 -1.854231
H -0.868254 -3.903749 -1.779158
H -5.431603 2.713170 1.457714
H 0.063661 -3.792125 2.464579
H -6.825471 1.722386 -0.415149
H 0.045538 -5.034356 0.270338
H 8.710854 -0.479342 -0.851229


