%chk=000090612.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090612

1 1
 O   2.5800001E-02 -0.7331000     -0.1057000    
 N   -4.731700     -0.6385000      6.8800002E-02
 N    4.813800     -0.6740000     -0.2826000    
 N  -5.2000001E-02   2.136100     -0.1628000    
 C   -3.623200      7.4000000E-03  1.3800000E-02
 C    3.587600      2.2299999E-02 -0.2529000    
 C   -1.175300     -4.1499998E-02 -7.5800002E-02
 C    1.177300      1.4200000E-02 -0.1637000    
 C   -1.150300       1.446900     -0.1078000    
 C    1.151900       1.413500     -0.1920000    
 C   -4.764700      -2.123300      0.1013000    
 C   -6.039500      6.5399997E-02  0.1031000    
 C    6.067700      5.0200000E-02 -0.3431000    
 C    4.836300      -2.122600     -0.2388000    
 C   -2.332800     -0.7086000     -1.8999999E-02
 C    2.386800     -0.6820000     -0.1937000    
 C   -3.610300       1.481500     -1.7800000E-02
 C    3.576800       1.416000     -0.2818000    
 C   -2.455200       2.147900     -7.4500002E-02
 C    2.364400       2.108200     -0.2514000    
 C   -4.853900      -2.651900      -1.314300    
 C   -6.437500      0.3099000       1.542800    
 C    6.559800      0.3604000       1.057400    
 C    4.678100      -2.604500       1.190400    
 H   -3.938600      -2.539900      0.6817000    
 H   -5.668600      -2.416300      0.6491000    
 H   -6.037300      0.9647000     -0.5167000    
 H   -6.778000     -0.5973000     -0.3645000    
 H    6.828600     -0.5723000     -0.8323000    
 H    6.029800      0.9453000     -0.9720000    
 H    4.095700      -2.576100     -0.9070000    
 H    5.798400      -2.495800     -0.6129000    
 H   -2.272700      -1.789000     -2.6200000E-02
 H    2.330800      -1.764800     -0.1687000    
 H   -4.510700       2.078300      3.4100000E-02
 H    4.472500       2.025900     -0.3070000    
 H   -2.443200       3.232800     -8.6099997E-02
 H    2.371500       3.195500     -0.2700000    
 H   -5.739100      -2.272700      -1.836700    
 H   -3.975700      -2.378500      -1.908700    
 H   -4.919800      -3.744800      -1.301600    
 H   -6.504700     -0.6238000       2.112000    
 H   -5.724900      0.9622000       2.058700    
 H   -7.419300      0.7930000       1.582200    
 H    5.813300      0.9021000       1.646400    
 H    6.826100     -0.5487000       1.602900    
 H    7.461000      0.9805000       1.005900    
 H    5.522600      -2.302600       1.815300    
 H    3.767400      -2.233400       1.669000    
 H    4.639000      -3.698800       1.208900    


%chk=000090612-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090612

1 1
O 0.012279 -0.667636 -0.093684
N -4.826485 -0.662946 0.070070
N 4.850746 -0.668505 -0.319371
N 0.013765 2.210618 -0.060999
C -3.635459 0.021324 0.033886
C 3.661149 0.018018 -0.229781
C -1.195582 0.050647 -0.041429
C 1.221083 0.050771 -0.132033
C -1.153357 1.500031 -0.030920
C 1.180676 1.499279 -0.110828
C -4.882990 -2.148028 0.156863
C -6.146100 0.028324 0.027289
C 6.163026 0.041376 -0.339089
C 4.883404 -2.158800 -0.325704
C -2.376834 -0.675345 -0.014086
C 2.401006 -0.676218 -0.183454
C -3.611259 1.476523 0.046953
C 3.638051 1.472909 -0.196182
C -2.417701 2.178204 0.014667
C 2.445581 2.175811 -0.143892
C -4.840121 -2.835763 -1.225311
C -6.651021 0.449238 1.424662
C 6.660004 0.480676 1.056958
C 4.758879 -2.794242 1.078107
H -4.064690 -2.508397 0.804075
H -5.824120 -2.406024 0.673749
H -6.085801 0.896649 -0.650645
H -6.862301 -0.674603 -0.433554
H 6.895304 -0.648181 -0.791584
H 6.094163 0.909211 -1.018892
H 4.085863 -2.531548 -0.993772
H 5.839076 -2.461840 -0.785375
H -2.318064 -1.764290 -0.047795
H 2.337500 -1.765156 -0.186969
H -4.547151 2.035566 0.099965
H 4.574234 2.033148 -0.213129
H -2.400247 3.271725 0.030795
H 2.430919 3.269288 -0.124246
H -5.680355 -2.505479 -1.861014
H -3.900949 -2.617450 -1.762459
H -4.920003 -3.930033 -1.100587
H -6.747901 -0.423779 2.093834
H -5.968148 1.171860 1.903995
H -7.645769 0.920356 1.336579
H 5.948957 1.166290 1.549316
H 6.813113 -0.387097 1.720426
H 7.626724 1.004943 0.955673
H 5.604932 -2.507055 1.724894
H 3.825000 -2.494149 1.583651
H 4.760975 -3.894820 0.986078


