%chk=000002187.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002187

0 1
 N   -3.364600     -0.2989000     -0.4641000    
 N   -3.745300      -1.397500      0.1786000    
 N    4.086800      -2.583000     -0.9327000    
 N    2.071900       3.215600       2.237600    
 N   -4.841500      0.4715000      0.9118000    
 C    1.821900      -2.334100      0.4453000    
 C    1.476500       2.599900     -0.2837000    
 C    1.045700      -1.148100     -1.8600000E-02
 C   0.8780000       1.236300     -0.3701000    
 C    1.604900      0.1272000      6.2500000E-02
 C  -0.9673000     -0.2052000     -0.9650000    
 C  -0.2404000      -1.314300     -0.5324000    
 C  -0.4081000       1.070100     -0.8839000    
 C   -2.343100     -0.3826000      -1.513100    
 C    1.092400      -3.711500      0.3145000    
 C    2.196500      -2.200600       1.953600    
 C   0.5741000       3.766900     -0.8035000    
 C    2.792400       2.685300      -1.116500    
 C    3.103800      -2.488100     -0.3229000    
 C    1.818400       2.962100       1.133600    
 C   -4.002900      0.8061000     -4.1200001E-02
 C   -4.650100     -0.8770000       1.010300    
 H    2.607000      0.2566000      0.4630000    
 H  -0.7112000      -2.288400     -0.6112000    
 H   -1.005600       1.906700      -1.230000    
 H   -2.580900      0.3858000      -2.258900    
 H   -2.461000      -1.352600      -2.011500    
 H   0.8431000      -3.940300     -0.7292000    
 H   0.1709000      -3.737600      0.9079000    
 H    1.728900      -4.532000      0.6703000    
 H    2.840600      -1.334500       2.145300    
 H    1.297200      -2.088300       2.570800    
 H    2.742200      -3.083000       2.310500    
 H  -0.3597000       3.842000     -0.2326000    
 H   0.3263000       3.642900      -1.864300    
 H    1.081100       4.735100     -0.7013000    
 H    3.563900       2.001600     -0.7434000    
 H    2.606400       2.433800      -2.167500    
 H    3.223300       3.693600      -1.082500    
 H   -3.838100       1.799800     -0.4333000    
 H   -5.186300      -1.499700       1.710700    


%chk=000002187-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000002187

0 1
N -3.417237 -0.522678 -0.496870
N -3.593089 -1.913586 -0.500669
N 4.093913 -2.421101 -0.207860
N 3.209649 3.060097 1.754679
N -4.890064 -0.917664 1.148541
C 1.586564 -2.223243 0.721784
C 1.868364 2.724855 -0.542931
C 0.907574 -0.977580 0.094508
C 1.024385 1.426037 -0.458858
C 1.616215 0.247240 0.048923
C -1.032201 0.154340 -0.889766
C -0.420257 -1.017597 -0.384643
C -0.310879 1.368661 -0.924539
C -2.460645 0.099996 -1.427746
C 0.857505 -3.557823 0.391361
C 1.652407 -2.038330 2.276194
C 1.015411 4.006638 -0.771746
C 2.911813 2.582627 -1.702692
C 2.977271 -2.324167 0.202356
C 2.610056 2.900271 0.735214
C -4.192729 0.042880 0.494137
C -4.491597 -2.087889 0.510408
H 2.649477 0.281926 0.417493
H -0.998098 -1.946487 -0.372660
H -0.799630 2.268922 -1.312299
H -2.823590 1.115779 -1.662542
H -2.502206 -0.497308 -2.355532
H 0.752570 -3.706176 -0.696773
H -0.145966 -3.567863 0.850945
H 1.427439 -4.406993 0.804492
H 2.203377 -1.122651 2.548537
H 0.625485 -1.958222 2.673798
H 2.151504 -2.903113 2.747001
H 0.237290 4.121557 0.002114
H 0.534098 3.971764 -1.765024
H 1.664831 4.897745 -0.744432
H 3.562040 1.705421 -1.549659
H 2.374347 2.454629 -2.658773
H 3.544910 3.484758 -1.766156
H -4.228467 1.108703 0.703741
H -4.863739 -3.072775 0.778843


