%chk=000170811.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170811

0 1
 O   -1.526100     -0.2923000      0.3764000    
 O   -1.595200       1.650300     -0.9117000    
 N   -8.229300     -0.6792000     -0.2325000    
 C    5.438400     -0.3762000     -0.1211000    
 C    6.947900     -0.3745000      0.1394000    
 C    4.734500      0.8722000      0.4227000    
 C    7.603400      -1.648000     -0.3961000    
 C    3.237400      0.8550000      0.2421000    
 C    2.685500       1.384100     -0.9148000    
 C    2.437500      0.3095000       1.234900    
 C    9.095800      -1.670200     -0.1064000    
 C   0.4846000      0.8219000     -9.2000000E-02
 C    1.300800       1.367500      -1.082800    
 C    1.053000      0.2928000       1.066800    
 C  -0.9592000      0.8059000     -0.2660000    
 C   -2.915600     -0.3725000      0.2512000    
 C   -3.443800      -1.065800     -0.8150000    
 C   -3.702400      0.2448000       1.198000    
 C   -4.830700      -1.146100     -0.9410000    
 C   -5.089200      0.1645000       1.072200    
 C   -5.653400     -0.5310000      2.7000001E-03
 C   -7.073900     -0.6127000     -0.1271000    
 H    5.254400     -0.4574000      -1.200000    
 H    4.995900      -1.270200      0.3370000    
 H    7.401300      0.5038000     -0.3357000    
 H    7.131700     -0.2910000       1.217400    
 H    5.148500       1.766800     -6.0800001E-02
 H    4.964500      0.9879000       1.490200    
 H    7.444300      -1.721700      -1.478100    
 H    7.137100      -2.528300      6.1500002E-02
 H    3.313200       1.808500      -1.693100    
 H    2.871100     -0.1041000       2.141000    
 H    9.287100      -1.632200      0.9707000    
 H    9.544500      -2.588100     -0.4989000    
 H    9.598900     -0.8185000     -0.5753000    
 H   0.8744000       1.780900      -1.993100    
 H   0.4421000     -0.1271000       1.861600    
 H   -2.803300      -1.544800      -1.548800    
 H   -3.262800      0.7853000       2.030400    
 H   -5.255300      -1.691700      -1.780300    
 H   -5.717200      0.6493000       1.815800    


%chk=000170811-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170811

0 1
O -1.698169 0.018062 0.256631
O -1.333833 2.010129 -0.955168
N -8.469610 -1.037244 -0.188365
C 5.528680 -0.363482 -0.128481
C 7.034091 -0.547503 0.164060
C 4.782050 0.378380 1.018483
C 7.785669 -1.281070 -0.970563
C 3.303640 0.558261 0.723257
C 2.845609 1.658860 -0.051315
C 2.347808 -0.391406 1.173562
C 9.289022 -1.467345 -0.671289
C 0.537257 0.848230 0.087500
C 1.483544 1.806225 -0.367335
C 0.981055 -0.255071 0.863748
C -0.885531 1.059237 -0.276132
C -3.101871 -0.087674 0.092053
C -3.652817 -1.215341 0.748595
C -3.925606 0.803856 -0.640855
C -5.032759 -1.462755 0.678749
C -5.309464 0.546515 -0.704933
C -5.878072 -0.580156 -0.051928
C -7.293051 -0.828860 -0.126935
H 5.397872 0.202817 -1.072623
H 5.055407 -1.352876 -0.290258
H 7.501942 0.445437 0.330997
H 7.159391 -1.113098 1.111180
H 5.263039 1.364731 1.169434
H 4.916317 -0.194399 1.956564
H 7.662775 -0.713691 -1.915485
H 7.314885 -2.270943 -1.139078
H 3.567730 2.406058 -0.401460
H 2.683462 -1.243187 1.777013
H 9.439539 -2.060782 0.250270
H 9.804024 -1.990672 -1.497575
H 9.788552 -0.490845 -0.526319
H 1.127310 2.654811 -0.960702
H 0.252430 -0.988993 1.217278
H -2.986640 -1.880819 1.304615
H -3.495457 1.670013 -1.142725
H -5.462930 -2.332388 1.184287
H -5.956890 1.226379 -1.267351


