%chk=000157723.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157723

0 1
 O    1.191000       4.249000      0.5616000    
 O   -4.859300      0.7527000      0.8634000    
 N    1.426000       1.697600     -0.6781000    
 N   -2.865800     -0.7791000     -0.4712000    
 N    3.379700      -1.730900      0.4642000    
 C    2.144000      0.4572000     -0.9643000    
 C   -2.172200      -2.032700     -0.7599000    
 C    1.379300     -0.7523000     -0.5342000    
 C    1.169600       1.831500      0.7626000    
 C    2.179900       2.861100      -1.165500    
 C  -0.7037000      -1.948000     -0.4386000    
 C   -2.742800     -0.4304000      0.9511000    
 C   -4.283600     -0.8689000     -0.8467000    
 C   1.8800000E-02 -0.8303000     -0.8321000    
 C    2.003300      -1.792500      0.1543000    
 C   0.4305000       3.137900       1.037500    
 C    1.417900       4.143700     -0.8445000    
 C   -3.484600      0.8736000       1.230800    
 C   -4.988300      0.4459000     -0.5253000    
 C  -9.3699999E-02  -2.989200      0.2467000    
 C    1.266800      -2.911000      0.5447000    
 C    4.362700      -2.255500     -0.4612000    
 C    3.824500      -1.129700       1.704800    
 H    3.140200      0.5053000     -0.5116000    
 H    2.303800      0.3675000      -2.047200    
 H   -2.258300      -2.271000      -1.828100    
 H   -2.635600      -2.862900     -0.2100000    
 H    2.118100       1.834000       1.315900    
 H   0.5527000       1.019700       1.159600    
 H    2.322800       2.794700      -2.250100    
 H    3.170300       2.899500     -0.6934000    
 H   -1.704200     -0.2840000       1.262200    
 H   -3.169900      -1.227900       1.573700    
 H   -4.771700      -1.686500     -0.3004000    
 H   -4.380800      -1.071200      -1.919400    
 H  -0.4649000     -3.6100000E-02  -1.395100    
 H  -0.5628000       3.146500      0.5722000    
 H   0.2921000       3.268300       2.115600    
 H    2.006200       5.013900      -1.152600    
 H   0.4585000       4.187600      -1.374300    
 H   -3.446100       1.102500       2.300600    
 H   -3.034300       1.718100      0.6948000    
 H   -4.589400       1.275300      -1.122100    
 H   -6.056500      0.3607000     -0.7493000    
 H  -0.6558000      -3.866000      0.5553000    
 H    1.742200      -3.728000       1.081700    
 H    5.369600      -2.239200     -3.0400001E-02
 H    4.381900      -1.663400      -1.382000    
 H    4.133900      -3.294500     -0.7217000    
 H    3.971700      -1.904100       2.464400    
 H    3.096600     -0.4080000       2.090900    
 H    4.771700     -0.5976000       1.566500    


%chk=000157723-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157723

0 1
O 0.600540 4.489792 -0.085294
O -4.893792 0.947570 0.911191
N 1.436807 1.773276 -0.676236
N -2.827987 -0.712952 -0.272191
N 3.568802 -1.753489 0.640755
C 2.302751 0.569732 -0.684039
C -2.109114 -1.957739 -0.647155
C 1.538417 -0.712659 -0.357365
C 0.991470 2.161297 0.686186
C 2.053949 2.931993 -1.366416
C -0.628963 -1.910392 -0.289929
C -2.898900 -0.506054 1.195873
C -4.181402 -0.628109 -0.873788
C 0.165031 -0.800782 -0.668822
C 2.173230 -1.807769 0.320675
C -0.002038 3.329480 0.595008
C 1.048395 4.094287 -1.430947
C -3.546843 0.853165 1.500116
C -4.812081 0.735098 -0.544068
C -0.008630 -2.959726 0.425115
C 1.371343 -2.914932 0.716445
C 4.534636 -1.699244 -0.477461
C 4.051150 -2.581599 1.757547
H 3.158054 0.660955 0.031480
H 2.744433 0.507983 -1.700900
H -2.226298 -2.073205 -1.743963
H -2.573126 -2.863422 -0.178037
H 1.860322 2.462959 1.324482
H 0.501238 1.293960 1.164546
H 2.334810 2.633264 -2.394948
H 2.980170 3.282500 -0.843197
H -1.874583 -0.532913 1.610912
H -3.492777 -1.316048 1.692140
H -4.855060 -1.440085 -0.497460
H -4.094741 -0.738291 -1.972075
H -0.305413 0.056408 -1.162561
H -0.908696 2.999513 0.041745
H -0.287563 3.692927 1.596113
H 1.509382 4.997162 -1.865073
H 0.170972 3.789888 -2.041855
H -3.690016 0.995275 2.584090
H -2.905434 1.667325 1.096160
H -4.205370 1.544412 -1.005488
H -5.850973 0.794316 -0.908932
H -0.602000 -3.824004 0.750043
H 1.831327 -3.754244 1.247918
H 5.491810 -1.268236 -0.129260
H 4.152291 -1.073149 -1.296334
H 4.741086 -2.711968 -0.896538
H 4.156905 -3.662955 1.500741
H 3.367678 -2.492504 2.618315
H 5.046804 -2.215172 2.068537


