%chk=000138543.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138543

0 1
 O   0.2451000      -2.925000     -0.4715000    
 O  -0.8810000       2.275700     -0.6676000    
 N   0.6220000      0.5600000     -0.9245000    
 N   -1.192600      -1.178700     -5.4099999E-02
 C    1.167100     -0.7024000     -0.4521000    
 C   -1.354100      0.1777000      0.4456000    
 C    1.913400     -0.5636000      0.8656000    
 C   -2.824200      0.5679000      0.4964000    
 C    3.112600      0.3989000      0.7971000    
 C   4.1700002E-02  -1.716700     -0.3661000    
 C  -0.5599000       1.107300     -0.4592000    
 C   -3.440600      0.5412000     -0.9024000    
 C   -3.598000     -0.3559000       1.437400    
 C    4.126300     -9.6000005E-03 -0.2727000    
 C    2.622200       1.823400      0.5278000    
 H    1.833100      -1.058800      -1.245400    
 H  -0.9167000      0.2227000       1.448900    
 H    1.243700     -0.2407000       1.670900    
 H    2.278400      -1.553500       1.170900    
 H   -2.909100       1.590900      0.8857000    
 H    3.607700      0.3790000       1.776100    
 H    1.167400       1.102800      -1.585600    
 H   -1.953200      -1.841500      5.3300001E-02
 H   -3.399800     -0.4559000      -1.353700    
 H   -4.498300      0.8248000     -0.8486000    
 H   -2.963900       1.243500      -1.591200    
 H   -3.704700      -1.371900       1.045500    
 H   -4.610700      3.2699998E-02   1.593900    
 H   -3.114300     -0.4128000       2.418300    
 H    3.738400      0.1109000      -1.288800    
 H    4.430700      -1.053200     -0.1416000    
 H    5.026100      0.6108000     -0.1945000    
 H    2.532300       2.071900     -0.5314000    
 H    3.376700       2.523300      0.9107000    
 H    1.697200       2.058400       1.063100    


%chk=000138543-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000138543

0 1
O 0.469223 -2.466568 1.042112
O -1.460431 2.670302 1.204005
N 0.288674 1.198850 0.802282
N -1.298316 -0.995829 1.303763
C 0.883060 -0.117096 0.476028
C -1.997810 0.298440 1.190285
C 2.328219 -0.242156 1.032293
C -3.061240 0.328731 0.036816
C 3.462930 0.325211 0.130756
C 0.006659 -1.287150 0.972185
C -1.032788 1.483721 1.061986
C -2.416425 0.135864 -1.353386
C -4.175288 -0.711818 0.291575
C 3.626900 -0.490154 -1.175458
C 3.322804 1.836352 -0.180862
H 0.925310 -0.239839 -0.628967
H -2.547889 0.475821 2.136107
H 2.355427 0.243919 2.027711
H 2.512286 -1.320860 1.188399
H -3.502628 1.343558 0.088310
H 4.396481 0.195629 0.717560
H 0.905422 2.013655 0.736075
H -1.850278 -1.803084 1.609984
H -1.913420 -0.846936 -1.426087
H -3.188326 0.175445 -2.142855
H -1.676521 0.927730 -1.571055
H -3.792556 -1.746867 0.202946
H -4.982133 -0.600209 -0.454638
H -4.627583 -0.590141 1.294264
H 2.745666 -0.386091 -1.837610
H 3.759639 -1.566004 -0.960637
H 4.506892 -0.141296 -1.746770
H 2.462494 2.035150 -0.850213
H 4.222825 2.210015 -0.702605
H 3.203724 2.437306 0.741900


