%chk=000062281.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062281

0 1
 O   -3.998800      -2.799800      0.1121000    
 N    1.192100     -0.3625000     -0.3616000    
 N   -3.016400     -0.6450000      1.0200000E-02
 C   -1.639100      -1.055000     -0.1054000    
 C   -1.034200     -0.5666000      -1.421300    
 C  -0.8124000     -0.5468000       1.076200    
 C   0.4543000     -0.9080000      -1.509200    
 C   0.6685000     -0.8902000      0.9060000    
 C    2.620100     -0.6542000     -0.4862000    
 C    3.383200      4.9000001E-03  0.6774000    
 C    2.799900      -2.172000     -0.5194000    
 C   -3.318700      0.7846000      2.5000000E-02
 C   -4.098500      -1.570200      0.1109000    
 C    4.850600      0.2194000      0.3935000    
 C   -5.484500     -0.9353000      0.1771000    
 C   -3.345600       1.412200       1.234500    
 C   -3.554400       1.391900      -1.172200    
 C    5.758200     -0.7750000      0.7216000    
 C    5.262700       1.407000     -0.1897000    
 C   -6.598900      -1.963500      0.2985000    
 C   -3.635400       2.776500       1.248200    
 C   -3.844300       2.756400      -1.158600    
 C    7.113800     -0.5765000      0.4596000    
 C    6.618300       1.605300     -0.4518000    
 C   -3.884700       3.448700      5.1700000E-02
 C    7.543900      0.6136000     -0.1272000    
 H   -1.603800      -2.151900     -9.9600002E-02
 H   -1.115500      0.5209000      -1.526200    
 H   -1.567700      -1.008700      -2.271800    
 H   -1.188400     -0.9756000       2.013300    
 H  -0.8768000      0.5424000       1.177000    
 H   0.5039000      -1.998400      -1.582600    
 H   0.8491000     -0.4918000      -2.444000    
 H    1.176900     -0.4568000       1.772800    
 H   0.7470000      -1.979300      0.9846000    
 H    2.984700     -0.2309000      -1.431500    
 H    3.298600     -0.5833000       1.600900    
 H    2.947400      0.9874000      0.9100000    
 H    2.310500      -2.677900      -1.353900    
 H    2.545900      -2.681000      0.4142000    
 H    3.863300      -2.391700     -0.6777000    
 H   -5.544000     -0.2754000       1.047900    
 H   -5.661400     -0.3529000     -0.7324000    
 H   -3.165100      0.8904000       2.168400    
 H   -3.536700      0.8548000      -2.114500    
 H    5.435700      -1.703600       1.183300    
 H    4.549600       2.184200     -0.4487000    
 H   -7.572300      -1.465600      0.3483000    
 H   -6.478500      -2.569400       1.202600    
 H   -6.605700      -2.640300     -0.5623000    
 H   -3.670200       3.314800       2.190900    
 H   -4.041600       3.278900      -2.090000    
 H    7.834700      -1.348300      0.7134000    
 H    6.953200       2.531700     -0.9093000    
 H   -4.111800       4.510700      6.2500000E-02
 H    8.599500      0.7681000     -0.3312000    


%chk=000062281-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000062281

0 1
O -3.897768 -2.731084 -0.199392
N 1.188786 -0.610010 -0.261278
N -3.138977 -0.532746 -0.004339
C -1.716086 -0.988793 -0.094439
C -1.022883 -0.524857 -1.397522
C -0.873242 -0.562494 1.129075
C 0.424023 -1.063661 -1.447296
C 0.567127 -1.103032 0.991570
C 2.664578 -0.815203 -0.379555
C 3.418168 0.113342 0.623781
C 3.128749 -2.291830 -0.253725
C -3.422619 0.880682 0.136412
C -4.161147 -1.495153 -0.070329
C 4.895134 0.273858 0.294585
C -5.602967 -0.974663 0.024101
C -3.556012 1.455811 1.424827
C -3.568607 1.699026 -1.011601
C 5.897832 -0.402297 1.035879
C 5.301764 1.100560 -0.786669
C -6.638569 -2.104085 -0.115834
C -3.832377 2.834109 1.563516
C -3.844247 3.077730 -0.871269
C 7.266152 -0.262210 0.707618
C 6.666660 1.244791 -1.119361
C -3.977072 3.648497 0.415989
C 7.655938 0.561677 -0.372994
H -1.792406 -2.093398 -0.110235
H -0.990484 0.580179 -1.437762
H -1.587867 -0.893881 -2.274804
H -1.329832 -0.958704 2.056562
H -0.834200 0.540295 1.202587
H 0.386174 -2.181671 -1.523983
H 0.930767 -0.688432 -2.356344
H 1.168584 -0.762922 1.853189
H 0.534020 -2.222405 1.029049
H 2.927371 -0.459048 -1.396862
H 3.308231 -0.283967 1.651230
H 2.905917 1.093581 0.588811
H 2.614137 -2.938151 -0.987763
H 2.923393 -2.688807 0.757698
H 4.215464 -2.369822 -0.433843
H -5.731937 -0.448041 0.990131
H -5.762064 -0.202061 -0.753141
H -3.443284 0.816900 2.307638
H -3.470727 1.247172 -2.004701
H 5.602838 -1.040547 1.878260
H 4.540692 1.642059 -1.363291
H -7.663017 -1.697516 -0.034378
H -6.496178 -2.868591 0.666362
H -6.536260 -2.614733 -1.088339
H -3.934401 3.270717 2.563231
H -3.956846 3.703492 -1.763545
H 8.025490 -0.791509 1.294768
H 6.960341 1.891762 -1.954125
H -4.191820 4.717352 0.524075
H 8.715769 0.674132 -0.627922


