%chk=000150509.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150509

0 1
 O   -2.813400      -1.475100      0.6962000    
 O   -2.877700       3.355600      0.1732000    
 O  -0.8046000       4.008000     -0.1364000    
 O   -3.047600      -1.697600      -1.622300    
 N   -1.655400       3.110900      5.9500001E-02
 C   0.5074000      4.2500000E-02  0.1482000    
 C    1.869200     -0.3319000      3.3000000E-02
 C   0.1369000       1.403300      4.1099999E-02
 C  -0.4808000     -0.9447000      0.3701000    
 C    2.857400      0.6552000     -0.1889000    
 C    2.239500      -1.692800      0.1401000    
 C   -1.215000       1.757900      0.1573000    
 C   -1.824400     -0.5581000      0.4819000    
 C    1.129800       2.367500     -0.1788000    
 C  -9.5100001E-02  -2.287900      0.4735000    
 C    2.471700       1.998500     -0.2923000    
 C    1.246800      -2.656900      0.3602000    
 C   -2.187500      0.7835000      0.3760000    
 C    4.201000      0.2686000     -0.3006000    
 C    3.591500      -2.047300      2.4000000E-02
 C    4.563900      -1.072900     -0.1947000    
 C   -3.371100      -1.996600     -0.4804000    
 C   -4.442500      -2.989600     -0.1400000    
 H    1.043100       3.433900     -0.2864000    
 H  -0.8260000      -3.074400      0.6481000    
 H    3.218300       2.772200     -0.4631000    
 H    1.508300      -3.709700      0.4469000    
 H   -3.242600       1.031200      0.4712000    
 H    4.978400       1.010300     -0.4714000    
 H    3.900000      -3.087600      0.1031000    
 H    5.607800      -1.360100     -0.2830000    
 H   -4.013100      -3.811900      0.4375000    
 H   -4.867700      -3.395100      -1.062400    
 H   -5.237400      -2.495900      0.4242000    


%chk=000150509-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150509

0 1
O -2.685962 -1.725305 0.373686
O -3.028059 3.205826 0.194652
O -1.023062 4.053964 -0.450184
O -4.174390 -1.012433 -1.308548
N -1.773960 3.059568 -0.095932
C 0.603072 0.026009 0.044485
C 1.998344 -0.331788 0.029747
C 0.206444 1.419746 -0.061489
C -0.378569 -1.026490 0.159713
C 3.008788 0.688586 -0.078562
C 2.401911 -1.714154 0.123640
C -1.202649 1.692839 -0.021525
C -1.755657 -0.664650 0.181661
C 1.249357 2.419723 -0.168606
C 0.043146 -2.402514 0.253187
C 2.586802 2.062632 -0.171377
C 1.386093 -2.733242 0.233856
C -2.167505 0.666540 0.102325
C 4.382168 0.320345 -0.091536
C 3.785600 -2.042042 0.106793
C 4.765761 -1.033452 0.000401
C -3.890527 -1.806002 -0.397475
C -4.699640 -2.983844 0.088010
H 0.958636 3.464990 -0.258732
H -0.726459 -3.172560 0.345759
H 3.353918 2.841577 -0.251700
H 1.699706 -3.781056 0.305255
H -3.221622 0.944766 0.130076
H 5.143189 1.104579 -0.175131
H 4.084692 -3.094123 0.177896
H 5.826980 -1.302565 -0.011225
H -4.097341 -3.907348 0.044947
H -5.600577 -3.093958 -0.531807
H -4.989525 -2.831166 1.142342


