%chk=000054522.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054522

0 1
 O  -0.2651000      8.3999997E-03  2.7999999E-03
 O   0.6423000      -2.006200      0.5929000    
 O    3.272600       2.138400      1.7999999E-02
 N   -3.946200      9.9399999E-02  0.2488000    
 N    1.966900     -0.2069000     -0.1059000    
 C   -4.825300       1.237100      0.5443000    
 C   -4.396700     -0.7294000     -0.8775000    
 C   -6.264200      0.8784000      0.9287000    
 C   -5.549400      -1.652900     -0.4847000    
 C   -7.101900      0.4173000     -0.2570000    
 C   -6.946600      -1.055600     -0.6122000    
 C   -2.585600      0.5884000     -2.2000000E-03
 C   -1.563500     -0.5025000      0.2748000    
 C   0.7861000     -0.8540000      0.2025000    
 C    3.282600     -0.7196000     -4.2800002E-02
 C    4.376600      7.2200000E-02 -0.3919000    
 C    4.195900       1.485500     -0.8430000    
 C    3.479400      -2.035900      0.3750000    
 C    5.667400     -0.4523000     -0.3231000    
 C    4.770200      -2.560200      0.4439000    
 C    5.864000      -1.768500      9.4800003E-02
 C    3.064800       3.490000     -0.3689000    
 C    2.075700       4.128800      0.5827000    
 H   -4.834000       1.946800     -0.2941000    
 H   -4.408700       1.777900       1.404600    
 H   -3.592800      -1.394600      -1.209200    
 H   -4.655000     -0.1189000      -1.752500    
 H   -6.282500      0.1389000       1.738100    
 H   -6.728900       1.787200       1.332900    
 H   -5.513200      -2.551500      -1.114700    
 H   -5.398700      -2.015900      0.5409000    
 H   -8.161300      0.5985000     -3.5500001E-02
 H   -6.873000       1.033500      -1.135500    
 H   -7.300700      -1.193500      -1.641900    
 H   -7.626000      -1.648400      1.3700000E-02
 H   -2.472600      0.9851000      -1.020200    
 H   -2.339600       1.426800      0.6641000    
 H   -1.720400      -1.384900     -0.3527000    
 H   -1.617800     -0.8068000       1.327500    
 H    1.869200      0.7542000     -0.4201000    
 H    3.820900       1.490200      -1.873800    
 H    5.148900       2.027400     -0.8168000    
 H    2.687700      -2.712900      0.6618000    
 H    6.530600      0.1503000     -0.5932000    
 H    4.925000      -3.585100      0.7690000    
 H    6.868900      -2.177000      0.1480000    
 H    2.669600       3.525800      -1.390300    
 H    4.014000       4.036300     -0.3349000    
 H    1.890300       5.172000      0.3124000    
 H    2.450500       4.091000       1.610900    
 H    1.124600       3.585800      0.5709000    


%chk=000054522-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054522

0 1
O -0.186292 0.033413 0.265385
O 0.644272 -2.165329 0.429274
O 3.219967 2.152690 -0.036147
N -3.925596 0.185243 0.252580
N 2.043754 -0.272425 0.101891
C -4.847427 1.234229 0.752454
C -4.372584 -0.488849 -0.999390
C -6.286321 0.753155 1.053180
C -5.491667 -1.529701 -0.758934
C -7.131128 0.443123 -0.208518
C -6.945472 -0.982636 -0.791764
C -2.519830 0.656833 0.171272
C -1.557678 -0.500784 0.470451
C 0.845286 -0.932310 0.281131
C 3.346593 -0.833063 0.092089
C 4.420725 0.019897 -0.318638
C 4.162176 1.396786 -0.897999
C 3.614258 -2.168673 0.490455
C 5.742269 -0.477109 -0.273116
C 4.942213 -2.644395 0.502377
C 6.015281 -1.802642 0.132632
C 2.864706 3.469915 -0.598575
C 1.818774 4.097031 0.321793
H -4.920166 2.094394 0.032804
H -4.406905 1.633460 1.686503
H -3.494055 -1.013506 -1.416960
H -4.690393 0.257124 -1.772146
H -6.247596 -0.125082 1.726306
H -6.780651 1.568513 1.618547
H -5.405894 -2.332607 -1.517990
H -5.278898 -1.997364 0.220378
H -8.205802 0.588399 0.018510
H -6.880625 1.198965 -0.981413
H -7.317959 -0.981471 -1.835873
H -7.591625 -1.691297 -0.236209
H -2.265785 1.098894 -0.821760
H -2.361581 1.450264 0.924095
H -1.712820 -1.364881 -0.199838
H -1.666451 -0.848287 1.512642
H 2.024200 0.763244 0.071352
H 3.707165 1.313336 -1.912454
H 5.112452 1.960266 -0.990546
H 2.781162 -2.814280 0.776692
H 6.567509 0.181290 -0.571682
H 5.136437 -3.677281 0.812424
H 7.046161 -2.170729 0.157017
H 2.467289 3.337242 -1.629274
H 3.780128 4.096629 -0.657093
H 1.527245 5.094932 -0.053104
H 2.220727 4.209788 1.343100
H 0.915452 3.463745 0.371487


