%chk=000056852.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056852

0 1
 O   -1.971600      -1.893200      0.2302000    
 O  -0.5332000      -1.658600      -1.562200    
 N    2.044300      0.3560000      0.5215000    
 N    6.543100      0.8183000      0.8731000    
 N    6.203600     -0.4930000      -1.050100    
 C  -0.8824000      0.1779000     -2.0099999E-02
 C   0.1181000      0.9403000     -0.9261000    
 C  -0.2475000      4.5299999E-02   1.388000    
 C    1.548100      0.3900000     -0.8570000    
 C    1.189300     -0.4888000       1.360500    
 C   -2.252400      0.8767000     -2.7500000E-02
 C   -1.088100      -1.222600     -0.5626000    
 C    3.427500     -0.1187000      0.5571000    
 C    4.333000      0.8286000     -0.2229000    
 C   -2.799200       1.341300       1.165600    
 C   -2.939200       1.040700      -1.227600    
 C   -4.042000       1.974900       1.158700    
 C   -4.181900       1.674300      -1.234500    
 C    5.772300      0.3462000     -0.1574000    
 C   -4.733300       2.141300     -4.1400000E-02
 C   -2.259600      -3.236800     -0.1699000    
 C   -3.249000      -3.840100      0.8043000    
 H   0.1361000       1.999300     -0.6302000    
 H  -0.2019000      0.9259000      -1.976000    
 H  -0.8435000     -0.5989000       2.047200    
 H  -0.2020000       1.032400       1.869400    
 H    2.130400       1.079400      -1.474800    
 H    1.622600     -0.5956000      -1.329600    
 H    1.199400      -1.531300       1.016800    
 H    1.566900     -0.4878000       2.390700    
 H    3.511800      -1.138900      0.1592000    
 H    3.777800     -0.1577000       1.596800    
 H    4.275800       1.847200      0.1785000    
 H    4.090200      0.8711000      -1.288900    
 H   -2.313800       1.230100       2.128000    
 H   -2.532300      0.6795000      -2.167600    
 H   -4.473500       2.336400       2.087600    
 H   -4.721100       1.802500      -2.168500    
 H   -5.701300       2.633500     -4.6599999E-02
 H   -2.688100      -3.233100      -1.178400    
 H   -1.334400      -3.823700     -0.1695000    
 H   -4.172500      -3.252300      0.8286000    
 H   -2.841400      -3.833400       1.820600    
 H   -3.492300      -4.869700      0.5277000    
 H    6.175600       1.463600       1.564500    
 H    7.509700      0.5303000      0.9803000    
 H    7.184900     -0.7136000     -0.8478000    


%chk=000056852-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056852

0 1
O -1.732483 -2.027790 0.322012
O -1.231790 -1.451589 -1.869557
N 2.003913 0.279298 0.353266
N 6.330690 0.674440 1.267871
N 6.490538 -0.405887 -0.901583
C -0.958978 0.254446 -0.069248
C 0.037950 0.987040 -1.020628
C -0.289047 0.139205 1.326419
C 1.439608 0.346300 -1.020456
C 1.106963 -0.504232 1.240289
C -2.313344 1.013103 -0.036154
C -1.286564 -1.140700 -0.655548
C 3.391449 -0.246637 0.384210
C 4.411242 0.722886 -0.269216
C -2.866438 1.528688 1.162305
C -3.028737 1.209698 -1.248675
C -4.091932 2.234156 1.149169
C -4.253094 1.910087 -1.262959
C 5.846202 0.294184 0.007991
C -4.790452 2.430503 -0.062445
C -2.195975 -3.364396 -0.166279
C -2.625344 -4.156355 1.064050
H 0.115933 2.036108 -0.679666
H -0.354155 0.987969 -2.052124
H -0.921717 -0.448335 2.013754
H -0.169710 1.159413 1.737571
H 2.106157 0.958325 -1.652677
H 1.386624 -0.671001 -1.485380
H 1.009651 -1.567107 0.893918
H 1.556264 -0.534270 2.250864
H 3.477951 -1.243347 -0.116257
H 3.663947 -0.393986 1.447498
H 4.219518 1.742391 0.117648
H 4.287901 0.736844 -1.363001
H -2.350340 1.383189 2.115447
H -2.632011 0.798541 -2.184379
H -4.500146 2.627511 2.087322
H -4.788222 2.048196 -2.209334
H -5.740250 2.976871 -0.071959
H -3.025571 -3.199844 -0.877621
H -1.363689 -3.842739 -0.713507
H -3.442196 -3.641528 1.597972
H -1.781308 -4.289442 1.762399
H -2.984734 -5.156052 0.758627
H 5.777639 1.267213 1.883563
H 7.266060 0.409675 1.571029
H 7.455029 -0.675843 -0.608839


