%chk=000158952.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158952

0 1
 O   0.2962000       1.153400      0.8881000    
 N    1.263100     -0.7706000     -3.0700000E-02
 N   -1.082800     -0.6307000      0.3118000    
 C   -2.339300     -5.6499999E-02  0.1033000    
 C   -3.482900     -0.8502000      1.4200000E-02
 C    2.614400     -0.2440000     -6.1799999E-02
 C   0.1659000      1.8400000E-02  0.4270000    
 C   -2.441700       1.329600     -1.4700000E-02
 C   -4.728600     -0.2580000     -0.1930000    
 C    1.046500      -2.121100     -0.5723000    
 C    2.775500       1.100100     -0.2583000    
 C    3.649500      -1.122200      0.1083000    
 C   -3.403100      -2.337400      0.1365000    
 C   -3.687500       1.922000     -0.2217000    
 C   -4.830900       1.128200     -0.3108000    
 C    4.075100       1.606500     -0.2872000    
 C    4.948900     -0.6159000      7.9499997E-02
 C    5.161600      0.7484000     -0.1182000    
 H   -1.068700      -1.643200      0.3634000    
 H   -1.591900       1.999800      1.5500000E-02
 H   -5.629800     -0.8611000     -0.2655000    
 H    1.864200      -2.430800      -1.230100    
 H   0.1404000      -2.150400      -1.185000    
 H   0.9464000      -2.821500      0.2621000    
 H    1.970800       1.793700     -0.4680000    
 H    3.512100      -2.182200      0.2935000    
 H   -2.777800      -2.756300     -0.6590000    
 H   -4.390200      -2.805000      5.0600000E-02
 H   -2.995900      -2.622900       1.112200    
 H   -3.767400       3.000700     -0.3204000    
 H   -5.800500       1.589500     -0.4737000    
 H    4.242200       2.666100     -0.4579000    
 H    5.795100      -1.282700      0.2170000    
 H    6.173500       1.142100     -0.1430000    


%chk=000158952-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158952

0 1
O 0.233455 1.458846 -0.105422
N 1.250244 -0.662521 -0.370907
N -1.087377 -0.486958 -0.076487
C -2.400299 0.067768 -0.022674
C -3.491164 -0.858347 0.053503
C 2.603813 -0.201230 -0.175346
C 0.134588 0.198661 -0.181070
C -2.649951 1.465258 -0.045799
C -4.807535 -0.346046 0.101827
C 1.054353 -2.084988 -0.724665
C 3.012878 1.118765 -0.509792
C 3.567830 -1.111078 0.340704
C -3.251342 -2.359843 0.077488
C -3.977130 1.941272 -0.002162
C -5.064156 1.043377 0.072810
C 4.357712 1.504783 -0.325494
C 4.911837 -0.715167 0.508844
C 5.317502 0.596789 0.177305
H -1.049163 -1.499497 0.034131
H -1.803606 2.152064 -0.087819
H -5.644532 -1.052510 0.160517
H 1.969853 -2.463549 -1.204320
H 0.236317 -2.184091 -1.460312
H 0.838372 -2.732237 0.151950
H 2.278056 1.828178 -0.890481
H 3.269789 -2.121716 0.639464
H -2.727633 -2.715235 -0.833896
H -4.208710 -2.903717 0.129852
H -2.654537 -2.678551 0.957414
H -4.155556 3.022217 -0.021742
H -6.093810 1.414533 0.110283
H 4.655951 2.526076 -0.588192
H 5.636670 -1.431666 0.911645
H 6.359681 0.906162 0.310541


