%chk=000100353.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100353

0 1
 O    1.298100      -3.007500     -3.6600001E-02
 O  -0.8147000      -2.397100      2.9000000E-03
 O  -0.1795000       3.874500      6.7900002E-02
 O   -1.836800       2.428400      7.4800000E-02
 N   -1.511400      1.1000000E-02  4.1999999E-02
 N   -4.397400     -0.4893000      0.1207000    
 N    3.947900      0.8176000     -2.9500000E-02
 N    3.265400      -1.297600     -4.4700000E-02
 N   0.4094000      -2.122500     -1.2700000E-02
 N  -0.6151000       2.700900      6.0600001E-02
 C   -2.278300     -0.1282000      -1.198500    
 C   -2.228300     -0.1849000       1.304400    
 C   -3.742200      0.2567000     -0.9593000    
 C   -3.451200      -1.077300       1.075000    
 C  -0.1491000      0.2923000      2.5000000E-02
 C   0.8034000     -0.7591000     -1.8000000E-03
 C   0.3214000       1.627200      3.4200002E-02
 C   -5.317400      -1.502000     -0.3894000    
 C    2.175800     -0.4579000     -1.8500000E-02
 C    2.578000      0.8749000     -8.5000005E-03
 C    1.683400       1.945400      1.7700000E-02
 C    4.310300     -0.5004000     -5.0400000E-02
 C    5.728200     -0.9049000     -7.5400002E-02
 H   -2.220500      -1.152200      -1.583400    
 H   -1.866500      0.5253000      -1.977700    
 H   -2.537100      0.7729000       1.737400    
 H   -1.576300     -0.6675000       2.043200    
 H   -3.817200       1.318700     -0.7054000    
 H   -4.293000      0.1582000      -1.903800    
 H   -3.129200      -2.068800      0.7368000    
 H   -3.963800      -1.226100       2.032900    
 H   -4.804100      -2.255300     -0.9977000    
 H   -6.099800      -1.038700      -1.000600    
 H   -5.827000      -2.012100      0.4357000    
 H    2.060700       2.962300      2.4300000E-02
 H    4.575800       1.610600     -2.9200001E-02
 H    6.227900     -0.5121000     -0.9664000    
 H    6.253200     -0.5335000      0.8102000    
 H    5.819000      -1.995500     -8.9800000E-02


%chk=000100353-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100353

0 1
O 0.915686 -2.515761 -1.843390
O -0.337804 -2.682181 0.058520
O -0.113632 3.680292 1.559307
O -1.546308 2.950085 -0.058466
N -1.561675 0.062112 -0.050431
N -4.470309 -0.530410 -0.110765
N 4.004079 0.763331 0.338734
N 3.276969 -1.173789 -0.624007
N 0.419904 -2.019923 -0.762940
N -0.509243 2.785049 0.702700
C -2.171805 -0.779972 -1.114527
C -2.524501 0.577914 0.957455
C -3.631765 -0.315153 -1.326193
C -3.670594 -0.430759 1.140588
C -0.199390 0.326319 0.015404
C 0.784390 -0.639731 -0.397797
C 0.325396 1.583263 0.530987
C -5.303903 -1.747436 -0.138466
C 2.171105 -0.369294 -0.301734
C 2.603270 0.854263 0.316719
C 1.703593 1.825180 0.747401
C 4.357463 -0.465434 -0.230194
C 5.776370 -0.915668 -0.375237
H -2.163917 -1.852019 -0.832645
H -1.584481 -0.665220 -2.043884
H -2.939363 1.556878 0.646822
H -1.993170 0.727195 1.914926
H -3.635729 0.755682 -1.604277
H -4.068007 -0.879652 -2.169344
H -3.238162 -1.418341 1.439734
H -4.320210 -0.088477 1.968738
H -4.716018 -2.700349 -0.135313
H -5.951838 -1.739938 -1.032058
H -5.960669 -1.758465 0.750645
H 1.999245 2.783463 1.181012
H 4.648626 1.464756 0.699500
H 6.364476 -0.217480 -0.999157
H 6.280153 -0.999980 0.605429
H 5.783768 -1.903948 -0.857397


