%chk=000103061.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103061

0 1
 O   -4.791000       3.452300      0.2374000    
 O    8.858400     -0.4481000     -0.3544000    
 O    8.744200       1.744100     -0.3569000    
 N   -3.356500      -1.007600      0.4853000    
 N   -6.488800       1.868400      0.3177000    
 N    2.188900     -0.7183000     -0.1639000    
 N    2.628800      0.3278000      0.3685000    
 N   -4.478600      -3.541200      -1.959100    
 N    8.198100      0.6167000     -0.2838000    
 C   -4.229400      1.8900000E-02 -2.9500000E-02
 C   -3.949800      -2.137400       1.203500    
 C   -4.265200       1.196200      0.9354000    
 C   -1.965300     -0.9353000      0.3223000    
 C   -3.605400      -3.457000      0.5211000    
 C   -1.120800      -1.493000       1.282200    
 C   -1.426400     -0.3053000     -0.7995000    
 C   -5.181400       2.309500      0.4601000    
 C   0.2627000      -1.420800       1.120200    
 C  -4.2900000E-02 -0.2331000     -0.9614000    
 C   0.8017000     -0.7908000     -1.5000000E-03
 C   -7.565000       2.727500     -0.1199000    
 C   -4.093900      -3.502900     -0.8651000    
 C   -7.561200       2.898600      -1.625000    
 C    4.022800      0.4001000      0.2053000    
 C    4.777500     -0.7704000      0.1278000    
 C    4.651800       1.642300      0.1217000    
 C    6.790100      0.5435000     -0.1164000    
 C    6.161200     -0.6988000     -3.3000000E-02
 C    6.035400       1.714000     -3.9099999E-02
 H   -3.967500      0.3567000      -1.036900    
 H   -5.237000     -0.3946000     -0.1575000    
 H   -5.042400      -2.032300       1.240100    
 H   -3.631600      -2.146500       2.252200    
 H   -4.604700      0.8744000       1.927800    
 H   -3.262600       1.621300       1.064600    
 H   -2.530800      -3.663000      0.5340000    
 H   -4.074000      -4.271400       1.087000    
 H   -1.494600      -1.973900       2.180500    
 H   -2.037900      0.1206000      -1.587100    
 H   0.9132000      -1.855000       1.875100    
 H   0.3681000      0.2540000      -1.841800    
 H   -6.729100      0.9152000      0.5710000    
 H   -7.461100       3.701300      0.3702000    
 H   -8.504300       2.272600      0.2094000    
 H   -8.397100       3.531100      -1.939200    
 H   -7.654900       1.930800      -2.128900    
 H   -6.632700       3.364400      -1.971100    
 H    4.329800      -1.757600      0.2097000    
 H    4.071000       2.559000      0.1808000    
 H    6.718000      -1.631100     -8.5299999E-02
 H    6.491200       2.698900     -0.1010000    


%chk=000103061-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103061

0 1
O -4.630527 1.599445 -1.799746
O 8.646188 1.972582 -1.426103
O 9.330050 0.559097 0.231670
N -3.341976 -1.243162 0.891442
N -6.355700 2.444273 -0.476846
N 2.066428 0.154026 -0.123010
N 3.015331 -0.402100 0.606592
N -5.403486 -4.358056 -0.300548
N 8.407576 1.111428 -0.489414
C -4.412448 -0.634002 0.072402
C -3.733371 -2.175080 1.956968
C -4.769983 0.816704 0.511799
C -2.000335 -0.919102 0.659910
C -3.611028 -3.682090 1.552076
C -0.943917 -1.511202 1.439477
C -1.633058 0.018472 -0.364975
C -5.250306 1.644562 -0.689349
C 0.394579 -1.184545 1.213740
C -0.287578 0.333947 -0.584911
C 0.752312 -0.251650 0.192572
C -6.926762 3.318997 -1.519815
C -4.592063 -4.067657 0.524923
C -8.352730 2.896417 -1.927436
C 4.331704 0.032287 0.264676
C 4.643434 0.977791 -0.759622
C 5.381317 -0.548578 1.031046
C 7.003135 0.738248 -0.228705
C 5.976931 1.331099 -1.006808
C 6.720588 -0.200851 0.790485
H -4.104740 -0.609345 -0.987129
H -5.303204 -1.282258 0.126499
H -4.778762 -1.965381 2.241017
H -3.118769 -2.011241 2.860284
H -5.501583 0.816541 1.341314
H -3.849190 1.303259 0.885570
H -2.592296 -3.884935 1.174020
H -3.765970 -4.315468 2.446991
H -1.173826 -2.232366 2.229555
H -2.392592 0.501098 -0.987310
H 1.193117 -1.637031 1.809802
H -0.006901 1.047793 -1.366284
H -6.819088 2.410206 0.433315
H -6.240388 3.255995 -2.380839
H -6.923537 4.365782 -1.158670
H -8.738439 3.573517 -2.710833
H -9.052557 2.939494 -1.071689
H -8.355516 1.867918 -2.327824
H 3.822661 1.411811 -1.337189
H 5.113306 -1.270424 1.808596
H 6.249155 2.051316 -1.782971
H 7.543810 -0.632779 1.364885


