%chk=000152295.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152295

1 1
 O    1.674800     -0.7358000       1.168300    
 O   -1.143900     -0.3460000       1.488300    
 O   0.8787000      -3.241800      -1.036100    
 O  -0.7824000      -3.159200      0.5050000    
 N    2.872700       1.465800     -0.1161000    
 C    1.519300      0.9937000     -0.4848000    
 C    1.371800     -0.5021000     -0.2100000    
 C  -2.2200000E-02  -1.082500     -0.5272000    
 C    3.141000       1.249400       1.381200    
 C    3.031500       2.964600     -0.4140000    
 C    3.952300      0.7090000     -0.9050000    
 C   -1.118700     -0.3545000      0.2562000    
 C  -3.7200000E-02  -2.584600     -0.2776000    
 C   -2.209500      0.3400000     -0.5392000    
 C   -3.228500       1.021100      0.3698000    
 C   -4.294400       1.746400     -0.3986000    
 C   -5.605000       1.516700     -0.2602000    
 H   0.8045000       1.579800      0.1050000    
 H    1.352500       1.210900      -1.546600    
 H    2.100900      -1.063100     -0.8023000    
 H  -0.2376000     -0.9404000      -1.594000    
 H    2.235600       1.475400       1.952600    
 H    3.559200      0.2565000       1.565100    
 H    3.918800       1.961700       1.680800    
 H    4.047800       3.273500     -0.1523000    
 H    2.848400       3.118800      -1.481400    
 H    2.295600       3.508600      0.1855000    
 H    4.019700     -0.3244000     -0.5571000    
 H    3.697800      0.7560000      -1.967700    
 H    4.912000       1.204100     -0.7249000    
 H   -2.703700     -0.4126000      -1.164000    
 H   -1.731000       1.077900      -1.193300    
 H    1.745400      -1.696100       1.300900    
 H   -2.718100       1.750700       1.011400    
 H   -3.677600      0.2792000       1.042600    
 H   0.8624000      -4.208800     -0.8724000    
 H   -3.971700       2.515700      -1.095300    
 H   -6.325900       2.082400     -0.8402000    
 H   -5.980400      0.7667000      0.4272000    


%chk=000152295-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152295

1 1
O 1.181232 -0.616928 0.695397
O -0.759996 1.893409 -0.454926
O -0.200217 -2.456284 -0.728914
O -1.042686 -1.939197 -2.838875
N 3.293503 1.333039 0.219221
C 2.049232 1.193869 -0.693487
C 1.379372 -0.195881 -0.689094
C 0.032507 -0.164839 -1.492855
C 2.853846 1.583654 1.669212
C 4.085883 2.547853 -0.266691
C 4.187641 0.097366 0.166454
C -1.072810 0.725194 -0.792953
C -0.460363 -1.572098 -1.806857
C -2.456465 0.145643 -0.599555
C -3.451633 1.101024 0.098901
C -4.831431 0.481213 0.199695
C -5.492379 0.248075 1.360338
H 1.328967 1.963842 -0.374700
H 2.384166 1.419019 -1.721632
H 2.042764 -0.922814 -1.206687
H 0.209998 0.317864 -2.474371
H 2.310652 2.540326 1.708590
H 2.193566 0.759820 1.970274
H 3.754062 1.633273 2.301532
H 4.897734 2.753702 0.447404
H 4.507220 2.334816 -1.261198
H 3.411403 3.415800 -0.323254
H 3.642204 -0.746742 0.611298
H 4.454448 -0.115914 -0.880396
H 5.100971 0.302650 0.745855
H -2.363151 -0.802434 -0.027950
H -2.842892 -0.161609 -1.595953
H 0.708318 -1.496280 0.668332
H -3.498048 2.046631 -0.476333
H -3.074038 1.363279 1.103492
H -0.541349 -3.369896 -0.929649
H -5.315749 0.221007 -0.754776
H -6.496106 -0.190030 1.370169
H -5.055475 0.501280 2.334541


