%chk=000087444.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087444

0 1
 O   -4.276100      -1.535000     -8.3999997E-03
 O    4.930400      -1.722400     -0.3771000    
 N  -0.1511000       2.074400     -1.8500000E-02
 C   0.4929000     -5.9799999E-02  3.6499999E-02
 C   0.9538000       1.256700      1.6100001E-02
 C  -0.9372000     -1.2100000E-02  1.3000000E-02
 C   -1.308600       1.332200     -2.1100000E-02
 C    1.439400      -1.105200      7.3399998E-02
 C    2.314900       1.582700      3.0400001E-02
 C    2.804000     -0.7951000      8.8200003E-02
 C    3.232900      0.5299000      6.6900000E-02
 C   -1.951900     -0.9922000      1.7500000E-02
 C   -2.644700       1.748100     -5.0700001E-02
 C    1.026900      -2.545900      9.7099997E-02
 C    2.808500       2.991000      8.2000000E-03
 C   -3.292600     -0.5919000     -1.1900000E-02
 C   -3.631400      0.7587000     -4.5499999E-02
 C    3.812600      -1.847300      0.1259000    
 C   -5.622700      -1.066700     -3.9900001E-02
 H  -0.1243000       3.084100     -3.9200000E-02
 H    4.296600      0.7615000      8.3300002E-02
 H   -1.730000      -2.052100      6.3100003E-02
 H   -2.908300       2.800300     -7.6899998E-02
 H   0.8356000      -2.870700       1.124100    
 H   0.1331000      -2.708300     -0.5075000    
 H    1.762200      -3.214700     -0.3595000    
 H    3.439200       3.154200     -0.8721000    
 H    1.996400       3.722400     -2.7200000E-02
 H    3.399900       3.195700      0.9069000    
 H   -4.654100       1.121300     -6.9200002E-02
 H    3.553800      -2.786700      0.6397000    
 H   -5.838700     -0.5214000     -0.9650000    
 H   -5.868300     -0.4838000      0.8544000    
 H   -6.271300      -1.948900     -3.2200001E-02


%chk=000087444-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087444

0 1
O -4.278145 -1.569822 0.041630
O 5.150443 -1.598446 0.034836
N -0.091841 2.130975 -0.000028
C 0.528470 -0.089252 0.021918
C 1.004838 1.268137 0.007787
C -0.936752 -0.018237 0.022331
C -1.284260 1.380258 0.008676
C 1.450288 -1.170954 0.031920
C 2.383476 1.612708 0.002956
C 2.842648 -0.837894 0.027697
C 3.272682 0.532061 0.013481
C -1.974820 -0.976275 0.032984
C -2.618170 1.819841 0.005600
C 0.916808 -2.593182 0.045771
C 2.836456 3.058991 -0.013091
C -3.319697 -0.536570 0.030033
C -3.645025 0.849014 0.016429
C 3.910479 -1.861295 0.037719
C -5.689020 -1.184721 0.038766
H -0.037272 3.146722 -0.007987
H 4.355751 0.703174 0.011167
H -1.786277 -2.051398 0.043605
H -2.869996 2.885665 -0.004859
H 0.283634 -2.760767 0.937378
H 0.281778 -2.777202 -0.841195
H 1.706819 -3.357555 0.052081
H 3.936563 3.125547 -0.012948
H 2.471886 3.592861 -0.913142
H 2.470638 3.613663 0.873816
H -4.687558 1.179322 0.014186
H 3.583136 -2.926691 0.048367
H -5.950950 -0.610601 -0.872011
H -5.949465 -0.591677 0.937764
H -6.245747 -2.133399 0.049162


