%chk=000155578.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155578

0 1
 O   -3.070300     -0.1928000       1.650600    
 O   -1.841400      -3.127800      -1.654800    
 O   -1.043300      -4.563400     -8.8900000E-02
 O    2.744900       2.899800     -3.5300002E-02
 N   -2.024900      -1.133900     -0.1935000    
 N   -4.789600      0.8036000     -0.4884000    
 N    3.336500      -1.015300     -0.4978000    
 N    5.505900     -0.4567000      -1.091800    
 N    5.058400     -0.6435000       1.135300    
 C   -1.414100      -2.231000      0.5133000    
 C  -2.4100000E-02  -1.883100       1.053000    
 C   -3.328900      0.8892000     -0.5019000    
 C    1.015900      -1.584000     -3.3199999E-02
 C   -2.882700       2.282100     -3.3799998E-02
 C   -2.816300     -0.1898000      0.4471000    
 C    2.381500      -1.288800      0.5776000    
 C   -1.380900       2.447000     -3.3599999E-02
 C   -1.390200      -3.434200     -0.4103000    
 C  -0.6435000       2.126000       1.106100    
 C  -0.7318000       2.920300      -1.174000    
 C   0.7429000       2.278300       1.105500    
 C   0.6547000       3.072600      -1.174600    
 C    1.392100       2.751700     -3.4800000E-02
 C    4.549300     -0.7264000     -0.1417000    
 H   -2.070500      -2.494200       1.351700    
 H   0.3365000      -2.723800       1.659600    
 H  -0.1011000      -1.019700       1.725400    
 H   -2.973500      0.7098000      -1.523100    
 H    1.107500      -2.435100     -0.7185000    
 H   0.6935000     -0.7274000     -0.6375000    
 H   -3.260700       2.492500      0.9765000    
 H   -3.325000       3.054400     -0.6777000    
 H   -1.838000      -1.038300      -1.187600    
 H    2.300700     -0.4246000       1.246900    
 H    2.710100      -2.156400       1.162900    
 H   -5.179500       1.522400      -1.097100    
 H   -5.082600     -9.0099998E-02 -0.8819000    
 H   -1.133900       1.764900       2.005700    
 H   -1.295300       3.171200      -2.068600    
 H    1.311700       2.027700       1.996700    
 H    1.148700       3.441200      -2.069500    
 H   -1.840300      -3.910000      -2.246700    
 H    3.025100       3.233600     -0.9049000    
 H    5.282100     -0.4778000      -2.080800    
 H    6.459700     -0.2280000     -0.8343000    
 H    4.489200     -0.8131000       1.956700    
 H    6.031500     -0.4059000       1.295400    


%chk=000155578-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000155578

0 1
O -3.581268 -0.262985 1.141725
O -1.688230 -3.407412 -1.427724
O -1.345957 -4.534144 0.573199
O 2.712124 2.051401 1.478843
N -1.889696 -1.004504 -0.283934
N -4.681197 0.908746 -1.233003
N 3.391543 -1.223512 -0.731148
N 4.964536 0.004659 -1.960218
N 4.706801 0.550355 0.337093
C -1.408036 -2.067671 0.598041
C 0.054353 -1.820200 1.095462
C -3.235834 0.949812 -0.963498
C 1.074966 -1.684984 -0.054644
C -2.738115 2.333407 -0.388501
C -2.928932 -0.164008 0.054587
C 2.516482 -1.429736 0.441919
C -1.288089 2.338791 0.064809
C -1.489454 -3.456080 -0.040619
C -0.970292 2.380262 1.448371
C -0.214816 2.235366 -0.858141
C 0.361187 2.302392 1.900745
C 1.126225 2.143786 -0.422341
C 1.417525 2.162169 0.967626
C 4.314678 -0.305871 -0.759087
H -2.082782 -2.073839 1.475034
H 0.330116 -2.657082 1.765665
H 0.042121 -0.892146 1.697507
H -2.686155 0.750977 -1.905987
H 1.084962 -2.593116 -0.687779
H 0.796715 -0.835252 -0.705430
H -3.401374 2.582709 0.460346
H -2.913657 3.087922 -1.182334
H -1.470078 -0.920201 -1.210025
H 2.504980 -0.574577 1.155163
H 2.865948 -2.323045 1.001644
H -5.031233 1.701957 -1.778741
H -5.225243 0.737087 -0.379169
H -1.782459 2.455783 2.181164
H -0.424442 2.232463 -1.935989
H 0.604276 2.331880 2.967509
H 1.941526 2.057945 -1.151693
H -1.714994 -4.335525 -1.787147
H 3.371936 1.615223 0.838258
H 4.627627 -0.499638 -2.778941
H 5.925853 0.340987 -1.972083
H 4.772141 0.084647 1.247414
H 5.479711 1.198001 0.155452


