%chk=000146868.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146868

0 1
 O  -0.5425000       4.689900      0.1899000    
 O    4.042300      -1.235000      -1.700100    
 O    4.869200      -2.062800      0.8211000    
 N   0.4773000       2.608700      0.3002000    
 N   -1.891400       2.796300      1.3300000E-02
 N   -3.183900      0.7956000     -0.1569000    
 C   0.3606000       1.224800      0.2775000    
 C   -2.050700       1.407600     -1.5000000E-02
 C    1.803500       3.209700      0.4655000    
 C  -0.6434000       3.458500      0.1693000    
 C  -0.8193000      0.6130000      0.1301000    
 C    1.533300      0.3704000      0.4151000    
 C   -3.118600     -0.6057000     -0.1576000    
 C   -3.232200      -1.309800       1.041000    
 C   -2.940500      -1.294100      -1.357400    
 C   -3.090800       3.624100     -0.1275000    
 C    2.237800     -3.0400001E-02 -0.7184000    
 C    2.471600       3.443500     -0.8788000    
 C    1.945800     -4.3800000E-02   1.679900    
 C   -2.989100      -3.392000     -0.1598000    
 C   -3.167200      -2.703200       1.039800    
 C   -2.875700      -2.687500      -1.358500    
 C    3.359600     -0.8490000     -0.5863000    
 C    3.067400     -0.8622000       1.812100    
 C    3.774400      -1.264800      0.6790000    
 C   -3.421800     -0.5957000       2.339500    
 C   -2.814200     -0.5629000      -2.654100    
 C   -2.919000      -4.881700     -0.1614000    
 C    5.105700     -0.3896000      -2.134100    
 C    4.651900      -3.472200      0.7924000    
 H    1.687100       4.180000      0.9634000    
 H    2.440600       2.619500       1.129900    
 H  -0.8141000     -0.4696000      0.1239000    
 H   -2.870200       4.693100     -9.4700001E-02
 H   -3.785400       3.373400      0.6807000    
 H   -3.571800       3.383500      -1.081000    
 H    1.914200      0.2767000      -1.710600    
 H    3.446200       3.920600     -0.7342000    
 H    2.631800       2.523300      -1.441200    
 H    1.864600       4.106400      -1.505100    
 H    1.405700      0.2620000       2.572700    
 H   -3.250800      -3.255900       1.972600    
 H   -2.732700      -3.228300      -2.291100    
 H    3.385600      -1.181400       2.800900    
 H   -3.722400      -1.283400       3.137700    
 H   -4.211900      0.1585000       2.260000    
 H   -2.490700     -0.1117000       2.650400    
 H   -2.912800      -1.239800      -3.509900    
 H   -3.602000      0.1909000      -2.757000    
 H   -1.836800     -7.5800002E-02  -2.726000    
 H   -3.313900      -5.294900      -1.095700    
 H   -1.881100      -5.208800     -4.3900002E-02
 H   -3.515200      -5.306700      0.6533000    
 H    5.876300     -0.3118000      -1.360600    
 H    4.725600      0.6052000      -2.387200    
 H    5.551800     -0.8319000      -3.029000    
 H    5.618100      -3.970200      0.9105000    
 H    4.216500      -3.775700     -0.1650000    
 H    3.998100      -3.776100       1.616000    


%chk=000146868-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146868

0 1
O -0.519905 4.551996 -0.223196
O 5.070431 -0.329755 -1.360656
O 5.187368 -2.219462 0.883161
N 0.602504 2.515450 0.030043
N -1.787085 2.581477 -0.288076
N -3.111249 0.645860 -0.263507
C 0.556483 1.108609 0.132106
C -1.907243 1.165939 -0.160168
C 1.840574 3.317767 0.263469
C -0.577746 3.287517 -0.170864
C -0.655833 0.455949 0.053666
C 1.808523 0.317142 0.331183
C -3.341691 -0.753731 -0.120011
C -3.449993 -1.342234 1.177666
C -3.578263 -1.543426 -1.286590
C -3.023368 3.357564 -0.521047
C 2.899012 0.385227 -0.573855
C 2.419484 3.945416 -1.019536
C 1.884644 -0.588706 1.422803
C -4.002106 -3.522910 0.139779
C -3.780414 -2.714125 1.280855
C -3.902658 -2.911131 -1.134139
C 4.033788 -0.432254 -0.405321
C 3.010739 -1.421220 1.586722
C 4.081754 -1.370106 0.669241
C -3.249040 -0.495988 2.421700
C -3.485066 -0.907526 -2.660349
C -4.325499 -5.001827 0.276369
C 6.373358 0.123330 -0.815664
C 5.455624 -3.188216 -0.209019
H 1.573971 4.126008 0.966531
H 2.574247 2.657574 0.751418
H -0.692084 -0.633428 0.096447
H -2.751362 4.420241 -0.583482
H -3.733316 3.181994 0.304129
H -3.503409 3.015969 -1.452943
H 2.881733 1.057209 -1.436650
H 3.328502 4.522399 -0.768621
H 2.695881 3.182011 -1.767460
H 1.686769 4.634593 -1.468430
H 1.057469 -0.640549 2.138066
H -3.872576 -3.159104 2.280610
H -4.086083 -3.512246 -2.034597
H 3.074842 -2.132117 2.416281
H -3.509682 -1.061926 3.332532
H -3.874150 0.415933 2.384131
H -2.200687 -0.153473 2.525272
H -3.835260 -1.599683 -3.445492
H -4.089239 0.017598 -2.704641
H -2.445620 -0.614302 -2.905924
H -4.974075 -5.351714 -0.546810
H -3.406174 -5.620153 0.253653
H -4.840746 -5.217349 1.229511
H 6.721212 -0.545944 -0.008375
H 6.283785 1.157697 -0.433321
H 7.069719 0.097730 -1.667164
H 6.369647 -3.720437 0.093868
H 5.606252 -2.669828 -1.172532
H 4.613811 -3.900531 -0.293174


