%chk=000162300.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162300

0 1
 O    2.353300      -1.174300     -0.6363000    
 O   0.3035000      -3.669200       1.054200    
 N   -1.039100      -1.215800      0.3229000    
 N   -4.264700       2.167500       1.650200    
 C   0.7654000      -2.874600     -4.1800000E-02
 C  -0.4357000      -2.133400     -0.6339000    
 C    1.863800      -1.940000      0.4603000    
 C   -2.104700     -0.3966000      1.6600000E-02
 C   -2.654500      0.4759000      0.9796000    
 C   -2.682400     -0.4028000      -1.270700    
 C    2.813100      8.3700001E-02 -0.3517000    
 C   -3.733000       1.304500      0.6694000    
 C   -3.760900      0.4257000      -1.580900    
 C   -4.286200       1.279300     -0.6108000    
 C    3.372600      0.3476000      0.8939000    
 C    2.716300       1.086300      -1.310700    
 C    3.841100       1.629100       1.183800    
 C    3.184800       2.367800      -1.020800    
 C    3.747200       2.639200      0.2265000    
 H    1.170700      -3.551600     -0.8020000    
 H   -1.186700      -2.875200     -0.9328000    
 H  -0.1119000      -1.588600      -1.528400    
 H    2.685200      -2.537100      0.8759000    
 H    1.468400      -1.318500       1.273500    
 H  -0.6923000      -1.193600       1.274600    
 H   -2.226500      0.5001000       1.980700    
 H   -2.309200      -1.052300      -2.058100    
 H  -3.0999999E-02  -3.071900       1.743900    
 H   -4.192400      0.4061000      -2.577400    
 H   -5.127000       1.919900     -0.8648000    
 H    3.495000     -0.4167000       1.655200    
 H    2.278200      0.8793000      -2.282900    
 H    4.286100       1.839200       2.152200    
 H    3.111800       3.154200      -1.766300    
 H    4.113500       3.636600      0.4516000    
 H   -5.046000       2.768900       1.425300    
 H   -3.863800       2.187200       2.578400    


%chk=000162300-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000162300

0 1
O 2.214075 -0.360329 -0.759666
O -0.426504 -2.855029 0.000994
N -1.191541 0.015523 -0.883391
N -4.938541 1.953418 1.561369
C 0.389340 -1.958198 -0.832845
C -0.461255 -0.975400 -1.677150
C 1.387200 -1.236929 0.089656
C -2.488823 -0.134682 -0.363580
C -3.074227 0.961674 0.329675
C -3.232608 -1.345672 -0.507873
C 3.260316 0.352287 -0.146949
C -4.378060 0.869031 0.880485
C -4.533419 -1.419489 0.039449
C -5.117343 -0.343697 0.731664
C 3.542117 0.317547 1.241449
C 4.050056 1.142661 -1.019231
C 4.621783 1.080602 1.745572
C 5.120971 1.896738 -0.500588
C 5.414787 1.871109 0.885554
H 0.936588 -2.630121 -1.517864
H -1.164587 -1.558508 -2.300054
H 0.224702 -0.442535 -2.359247
H 2.016773 -1.984197 0.608980
H 0.839594 -0.631765 0.841847
H -0.745123 0.923247 -0.759344
H -2.506058 1.896110 0.437975
H -2.828825 -2.199476 -1.058487
H -1.147737 -2.327601 0.437687
H -5.101961 -2.349723 -0.078552
H -6.125835 -0.428508 1.152277
H 2.940974 -0.288135 1.925948
H 3.812140 1.146356 -2.087696
H 4.839706 1.051630 2.819251
H 5.729698 2.504202 -1.179689
H 6.249037 2.457004 1.285075
H -5.875577 1.891273 1.947023
H -4.429835 2.825483 1.668675


