%chk=000099699.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099699

0 1
 O   -1.163000      -2.663100       1.347100    
 N   -2.823700      0.6703000      7.2899997E-02
 C   0.4666000      -1.414800     -1.5300000E-02
 C  -0.8683000     -0.7169000     -0.4683000    
 C    1.065300      -2.172000      -1.272800    
 C   -1.609900      7.0100002E-02  0.6259000    
 C    1.505200     -0.4565000      0.5997000    
 C   -3.740400     -0.3733000     -0.4071000    
 C   -3.473500       1.529600       1.072400    
 C   -4.994000      0.2391000      -1.033400    
 C   -4.718500       2.204500      0.4942000    
 C   -5.698800       1.177200     -6.0100000E-02
 C  -4.4000000E-03  -2.497000      0.9760000    
 C   7.6700002E-02  -3.105800      -1.988000    
 C    2.351500      -2.964100     -0.9811000    
 C    2.036300      0.5761000     -0.1493000    
 C    1.845800     -0.7069000       1.908900    
 C    2.984900       1.421800      0.4735000    
 C    2.778800      0.1246000       2.521200    
 C    1.675400      0.8156000      -1.485300    
 C    3.345400       1.182500       1.809600    
 C    3.545300       2.481500     -0.2583000    
 C    2.242200       1.873100      -2.197300    
 C    3.175400       2.704300      -1.585000    
 H   -1.523300      -1.524900     -0.8018000    
 H  -0.7610000     -7.1900003E-02  -1.339500    
 H    1.373200      -1.496300      -2.064400    
 H   -1.851200     -0.5263000       1.508900    
 H  -0.9490000      0.8765000      0.9667000    
 H   -4.024900      -1.054000      0.4058000    
 H   -3.307300     -0.9744000      -1.209700    
 H   -2.779800       2.315400       1.395200    
 H   -3.750100      0.9521000       1.964400    
 H   -5.682000     -0.5566000      -1.341100    
 H   -4.719900      0.7934000      -1.940400    
 H   -4.423600       2.896600     -0.3048000    
 H   -5.209400       2.802700       1.270100    
 H   -6.531400       1.683200     -0.5610000    
 H   -6.124900      0.5947000      0.7660000    
 H   0.7738000      -3.192700       1.336500    
 H  -0.7281000      -2.549100      -2.477200    
 H   0.5816000      -3.668400      -2.782300    
 H  -0.3650000      -3.838200      -1.305600    
 H    2.167300      -3.808600     -0.3105000    
 H    2.768900      -3.374100      -1.908400    
 H    3.127300      -2.333600     -0.5374000    
 H    1.434600      -1.496300       2.524500    
 H    3.064300     -4.6300001E-02   3.555300    
 H   0.9377000      0.2842000      -2.057800    
 H    4.071900       1.820200       2.308900    
 H    4.276000       3.144400      0.2003000    
 H    1.948100       2.055800      -3.227000    
 H    3.614300       3.529000      -2.139100    


%chk=000099699-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099699

0 1
O -1.111320 -3.171413 0.909198
N -2.908444 0.546095 -0.061962
C 0.391137 -1.540082 -0.216680
C -0.934958 -0.857282 -0.683326
C 1.145387 -2.236017 -1.456589
C -1.548761 0.115558 0.348550
C 1.337731 -0.561920 0.534369
C -3.946945 -0.471735 0.251023
C -3.283339 1.874272 0.488785
C -5.312603 -0.071377 -0.343078
C -4.626395 2.355194 -0.098368
C -5.743370 1.321000 0.171402
C 0.043767 -2.729660 0.700072
C 0.241561 -3.229790 -2.227600
C 2.485165 -2.914752 -1.071640
C 1.989703 0.572296 -0.106689
C 1.566964 -0.755494 1.908054
C 2.925850 1.378750 0.665002
C 2.464483 0.053545 2.667139
C 1.743632 0.989609 -1.462167
C 3.156472 1.089892 2.049030
C 3.600115 2.485011 0.047745
C 2.402077 2.081320 -2.032572
C 3.356141 2.831557 -1.280213
H -1.667288 -1.657666 -0.884931
H -0.790216 -0.311618 -1.632680
H 1.394437 -1.415187 -2.152263
H -1.556731 -0.362307 1.360232
H -0.913001 1.016856 0.427088
H -4.051844 -0.597297 1.362235
H -3.626478 -1.449391 -0.149588
H -2.480521 2.593139 0.238828
H -3.367314 1.842906 1.608839
H -6.067491 -0.836518 -0.077093
H -5.228907 -0.049968 -1.447027
H -4.505683 2.492152 -1.190582
H -4.888634 3.338496 0.338265
H -6.690222 1.637758 -0.306043
H -5.933890 1.264042 1.263525
H 0.923909 -3.261629 1.136536
H -0.676429 -2.748821 -2.606231
H 0.794283 -3.630391 -3.097443
H -0.061190 -4.089135 -1.601128
H 2.330639 -3.859166 -0.518022
H 3.046210 -3.166659 -1.990297
H 3.122778 -2.253995 -0.458912
H 1.041778 -1.553185 2.443790
H 2.605362 -0.155167 3.733019
H 0.996852 0.469606 -2.062841
H 3.865008 1.709675 2.610929
H 4.307533 3.065463 0.652263
H 2.177082 2.369914 -3.065244
H 3.874319 3.679915 -1.740011


