%chk=000158583.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158583

0 1
 O   -2.296700      -3.081300       1.107900    
 O   -5.796100      0.5287000     -0.3144000    
 N    2.237400     -0.1154000      -1.092800    
 N  -0.4193000       1.217700      0.5053000    
 C    3.678400      0.8916000      0.8265000    
 C    1.555500     -0.3104000      0.2211000    
 C    4.392900     -0.3192000      0.1768000    
 C    2.319400      0.3995000       1.364300    
 C    3.373500       1.946900     -0.2508000    
 C    3.556800     -0.7987000      -1.035500    
 C    2.503500       1.318600      -1.349800    
 C   5.9400000E-02 -1.0400000E-02  0.1558000    
 C    5.808800     -1.5500000E-02 -0.2103000    
 C  -0.9942000     -0.8001000     -0.2193000    
 C   -2.177000     -1.8800000E-02 -9.3900003E-02
 C   -1.788400       1.242700      0.3621000    
 C  -0.9194000      -2.204900     -0.6726000    
 C    6.874100     -0.6517000      0.2886000    
 C   -3.545000     -0.2644000     -0.3256000    
 C   -2.703000       2.274800      0.5990000    
 C   -1.035700      -3.226800      0.4673000    
 C   -4.471300      0.7587000     -9.2600003E-02
 C   -4.054500       2.008000      0.3627000    
 C   -6.159000     -0.7694000     -0.7798000    
 H    4.274800       1.324900       1.637200    
 H    1.602200      -1.387000      0.4458000    
 H    4.399600      -1.131700      0.9181000    
 H    1.779800       1.244500       1.801800    
 H    2.487100     -0.3123000       2.183100    
 H    4.297000       2.348600     -0.6812000    
 H    2.841600       2.794000      0.1997000    
 H    4.085100     -0.6494000      -1.986600    
 H    3.398700      -1.883100     -0.9657000    
 H    1.560000       1.868600      -1.443300    
 H    2.995400       1.434000      -2.324100    
 H    5.982300      0.7585000     -0.9535000    
 H   0.1330000       2.012100      0.7960000    
 H   -1.723000      -2.391600      -1.396100    
 H   1.9900000E-02  -2.380100      -1.210600    
 H    7.873800     -0.3891000     -3.9600000E-02
 H    6.771900      -1.439000       1.027100    
 H   -3.814800      -1.251500     -0.6799000    
 H   -2.379300       3.247700      0.9534000    
 H  -0.9619000      -4.243800      6.9700003E-02
 H  -0.2478000      -3.077400       1.212700    
 H   -4.786500       2.792900      0.5390000    
 H   -2.333900      -3.744700       1.817800    
 H   -5.727700     -0.9803000      -1.764300    
 H   -7.247200     -0.7761000     -0.9015000    
 H   -5.916600      -1.544100     -4.4300001E-02


%chk=000158583-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158583

0 1
O -2.791883 -3.377729 0.117130
O -5.792253 0.637227 -0.349115
N 2.240255 -0.402154 -0.847415
N -0.363961 1.238895 0.816972
C 3.744134 1.026886 0.715886
C 1.620733 -0.370748 0.534366
C 4.550079 -0.229514 0.239651
C 2.489830 0.535766 1.490106
C 3.274345 1.878893 -0.496403
C 3.600730 -1.006834 -0.764880
C 2.345561 0.983421 -1.396878
C 0.149209 -0.022677 0.457215
C 5.883188 0.107264 -0.383969
C -0.905874 -0.819519 -0.016952
C -2.114524 -0.019019 0.064923
C -1.744597 1.265910 0.589029
C -0.760234 -2.214214 -0.578167
C 7.091245 -0.306888 0.075462
C -3.475026 -0.281220 -0.260029
C -2.692606 2.294738 0.790551
C -1.324055 -3.351358 0.294448
C -4.411836 0.752125 -0.066620
C -4.029681 2.028207 0.453101
C -6.245384 -0.638531 -0.899152
H 4.381463 1.634873 1.383452
H 1.689438 -1.416537 0.891817
H 4.735600 -0.861138 1.132136
H 1.936231 1.418824 1.862905
H 2.794329 -0.036134 2.386689
H 4.142404 2.258453 -1.065608
H 2.727930 2.768022 -0.126278
H 4.028975 -1.001382 -1.784019
H 3.499646 -2.063365 -0.455762
H 1.325183 1.396867 -1.468698
H 2.740947 0.904641 -2.425501
H 5.847947 0.721722 -1.298448
H 0.180732 2.004863 1.204356
H -1.264080 -2.286699 -1.562590
H 0.309962 -2.413219 -0.771798
H 8.024413 -0.041613 -0.434117
H 7.180894 -0.927157 0.976780
H -3.752215 -1.277296 -0.613183
H -2.407641 3.273480 1.192617
H -0.895320 -4.321136 -0.039253
H -1.057754 -3.186269 1.359502
H -4.809575 2.784855 0.581857
H -3.199740 -3.943465 0.819218
H -5.747525 -0.862495 -1.863484
H -7.328171 -0.519935 -1.056773
H -6.057868 -1.472892 -0.194377


