%chk=000152753.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152753

0 1
 O   -4.188300       1.856900     -0.3882000    
 O   -5.412100       1.081700      -2.133800    
 N   0.7562000     -0.4375000       1.401700    
 N    4.138100      0.5936000     -0.8494000    
 N   -6.923600     -0.3821000     -0.3721000    
 C    1.903000     -8.8100001E-02  0.6384000    
 C    2.705200      -1.094800      9.1399997E-02
 C    2.219700       1.259700      0.4407000    
 C   -4.674300      -1.345500     -4.0100001E-02
 C   -3.251300      -1.107200      0.3375000    
 C  -0.5805000     -0.6612000       1.046800    
 C    3.828800     -0.7031000     -0.6559000    
 C    3.362200       1.559200     -0.3203000    
 C   -5.547000     -7.1999997E-02  7.1000000E-03
 C   -2.316900     -0.7692000     -0.6414000    
 C   -2.854900      -1.222700       1.669800    
 C  -0.9859000     -0.5470000     -0.2880000    
 C   -1.524000      -1.000500       2.023200    
 C    2.410700      -2.457200      0.2741000    
 C    1.431300       2.291900      0.9786000    
 C    4.631400      -1.700700      -1.203000    
 C    3.682600       2.899400     -0.5205000    
 C    3.229200      -3.435000     -0.2835000    
 C    1.773400       3.623700      0.7638000    
 C    4.341700      -3.055600      -1.023400    
 C    2.901400       3.927500      1.2500000E-02
 C   -5.056200      0.9861000     -0.9661000    
 H   -4.707100      -1.783600      -1.047900    
 H   -5.102200      -2.110900      0.6218000    
 H   0.9609000     -0.5427000       2.391100    
 H   -5.554500      0.3543000       1.017400    
 H   -2.610300     -0.6790000      -1.684000    
 H   -3.573800      -1.483200       2.442000    
 H  -0.2799000     -0.2857000      -1.071900    
 H   -1.230100      -1.093700       3.065900    
 H    1.551500      -2.788900      0.8511000    
 H   0.5453000       2.089600       1.574700    
 H    5.508900      -1.428900      -1.786900    
 H    4.561700       3.163300      -1.105700    
 H    3.000500      -4.486600     -0.1401000    
 H    1.163600       4.419000       1.181200    
 H    4.987300      -3.810700      -1.462600    
 H    3.177400       4.963500     -0.1610000    
 H   -7.508900      0.4429000     -0.2446000    
 H   -7.298400      -1.094300      0.2535000    
 H   -3.884900       2.543700      -1.019400    


%chk=000152753-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152753

0 1
O -4.900754 2.729516 0.346487
O -4.848296 1.598834 -1.683577
N 0.791812 -1.137327 1.114690
N 4.253666 0.599735 -0.774423
N -7.031234 0.288065 0.233536
C 1.891267 -0.545065 0.456723
C 3.034727 -1.362183 0.160845
C 1.943728 0.855390 0.147729
C -4.887604 -0.930846 -0.073852
C -3.395496 -0.979535 0.218327
C -0.590800 -1.038924 0.800293
C 4.207035 -0.725800 -0.429417
C 3.148198 1.365371 -0.503824
C -5.563653 0.389545 0.378751
C -2.437707 -0.540745 -0.732991
C -2.917131 -1.456296 1.466071
C -1.056277 -0.572233 -0.458306
C -1.539812 -1.482287 1.761383
C 3.071204 -2.781239 0.396170
C 0.910317 1.791463 0.502758
C 5.376083 -1.524712 -0.688637
C 3.214560 2.761878 -0.849507
C 4.217953 -3.525350 0.124471
C 1.022209 3.140252 0.174644
C 5.388771 -2.887745 -0.409312
C 2.176356 3.629225 -0.527226
C -5.043004 1.579792 -0.445893
H -5.071218 -1.057444 -1.158209
H -5.418884 -1.741965 0.455533
H 1.027471 -1.868110 1.789289
H -5.335127 0.580365 1.440494
H -2.780990 -0.177731 -1.708668
H -3.632472 -1.813454 2.217422
H -0.340265 -0.249994 -1.220240
H -1.194564 -1.843237 2.738393
H 2.174614 -3.298617 0.756904
H 0.028315 1.439243 1.043481
H 6.241285 -1.010350 -1.117976
H 4.122272 3.102037 -1.357201
H 4.223571 -4.606495 0.300992
H 0.227265 3.837683 0.460543
H 6.284440 -3.484911 -0.612643
H 2.241449 4.690787 -0.790431
H -7.558026 1.039358 0.689711
H -7.340846 0.116735 -0.729425
H -4.627509 3.495720 -0.229382


