%chk=000138709.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138709

0 1
 O   -2.155400      0.5728000     -2.2000000E-03
 N  -0.9451000     -0.1335000     -2.4000001E-03
 N    4.100200     -0.4981000      2.0000001E-03
 C   -4.540900      0.3759000     -3.7000000E-03
 C   -3.216500     -0.3721000     -3.8999999E-03
 C   -5.725600     -0.5734000      9.6000005E-03
 C    1.439200      0.2962000     -7.9999998E-04
 C   2.8600000E-02  0.7173000     -7.9999998E-04
 C    2.434500       1.254100      1.9000000E-03
 C    1.746500      -1.050500     -2.2000000E-03
 C    3.745900      0.8065000      3.3000000E-03
 C    3.088700      -1.395100     -6.9999998E-04
 H   -4.587700       1.041000      0.8669000    
 H   -4.595500       1.027600     -0.8839000    
 H   -3.139500      -1.006100      0.8874000    
 H   -3.139100      -1.004900     -0.8960000    
 H   -5.710900      -1.206900      0.9023000    
 H   -6.663600     -9.4999997E-03  9.1000004E-03
 H   -5.718700      -1.221900     -0.8723000    
 H  -0.1669000       1.805600      5.0000002E-04
 H    2.216400       2.316200      3.1999999E-03
 H   0.9928000      -1.829700     -4.1000000E-03
 H    4.572600       1.509300      5.5000000E-03
 H    3.395000      -2.436000     -1.6000000E-03


%chk=000138709-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000138709

0 1
O -2.201934 0.591870 0.001737
N -0.930409 -0.096063 0.001149
N 4.203354 -0.506526 -0.001067
C -4.610253 0.376961 0.000276
C -3.293751 -0.407176 0.001282
C -5.825968 -0.576662 0.003293
C 1.453656 0.309697 0.000197
C 0.059076 0.772784 0.000687
C 2.508760 1.263102 -0.000969
C 1.813650 -1.068918 0.000701
C 3.848076 0.813018 -0.001577
C 3.178777 -1.418258 0.000055
H -4.640329 1.036468 0.888351
H -4.641789 1.032384 -0.890764
H -3.199668 -1.045809 0.901532
H -3.198287 -1.046072 -0.898613
H -5.826271 -1.225504 0.899436
H -6.771317 -0.005415 0.001284
H -5.826107 -1.231380 -0.888572
H -0.133108 1.857928 0.000618
H 2.291113 2.337554 -0.001461
H 1.035269 -1.837611 0.001578
H 4.677865 1.529204 -0.002505
H 3.484595 -2.470777 0.000450


