%chk=000101290.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101290

0 1
 O    5.575400     -5.8100000E-02  0.1519000    
 O   -3.093300      -2.663300      0.7507000    
 O   -1.432800      -2.221000     -0.7371000    
 N  -0.7681000      0.4663000     -0.5737000    
 C    1.452400      0.3556000      0.3913000    
 C   -2.145800      0.6198000     -0.3430000    
 C   -2.955500     -0.4877000     -0.1039000    
 C    2.226500      0.4037000       1.550400    
 C    2.063700      0.1681000     -0.8485000    
 C    4.223500      7.6600000E-02  0.2304000    
 C   7.7000000E-03  0.5013000      0.4749000    
 C   -2.692700       1.900600     -0.3567000    
 C    3.612100      0.2644000       1.470000    
 C    3.449200      2.8600000E-02 -0.9290000    
 C   -4.320700     -0.3133000      0.1231000    
 C   -4.057900       2.074900     -0.1296000    
 C   -4.871800      0.9680000      0.1102000    
 C   -2.407000      -1.837500     -8.4500000E-02
 C    6.135000     -0.2472000      -1.147000    
 H    1.764800      0.5493000       2.523600    
 H    1.484700      0.1264000      -1.767300    
 H  -0.4219000      0.6456000       1.484300    
 H   -2.067000       2.769400     -0.5436000    
 H    4.210000      0.3029000       2.376400    
 H    3.858800     -0.1141000      -1.923200    
 H   -4.984200      -1.155900      0.2997000    
 H   -4.487300       3.072500     -0.1406000    
 H   -5.935300       1.103900      0.2838000    
 H    5.957700      0.6203000      -1.791700    
 H    5.788100      -1.180900      -1.602600    
 H    7.219200     -0.3361000      -1.022000    
 H   -2.717400      -3.569400      0.7582000    


%chk=000101290-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101290

0 1
O 5.727156 0.212969 -0.028381
O -3.678146 -2.897700 -0.553042
O -1.473525 -2.433047 -0.002586
N -0.794616 0.257279 -0.110497
C 1.541599 0.515056 0.517330
C -2.173019 0.471627 0.028150
C -3.114676 -0.606615 -0.098444
C 2.470450 1.022170 1.470880
C 2.040511 -0.121556 -0.651171
C 4.334878 0.277107 0.085553
C 0.100666 0.648320 0.757580
C -2.677366 1.799970 0.169282
C 3.853045 0.909884 1.261199
C 3.423431 -0.243091 -0.874323
C -4.507365 -0.326527 -0.094294
C -4.061335 2.053559 0.181308
C -4.986510 0.989292 0.045636
C -2.637533 -2.005411 -0.197976
C 6.289035 -0.437731 -1.217113
H 2.099647 1.508012 2.382057
H 1.316660 -0.525255 -1.366351
H -0.195068 1.078626 1.738132
H -1.960600 2.626034 0.232491
H 4.578566 1.295258 1.983445
H 3.782642 -0.742465 -1.779005
H -5.200726 -1.165727 -0.194657
H -4.420736 3.083130 0.291060
H -6.063127 1.186757 0.049716
H 5.986497 0.088467 -2.142721
H 5.983889 -1.500105 -1.274195
H 7.379202 -0.370357 -1.090554
H -3.293426 -3.814228 -0.583613


