%chk=000158811.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158811

0 1
 O    3.051700     -0.2400000       1.422000    
 O    2.808100      -1.121100     -0.7680000    
 O    3.296600       3.175000     -0.9187000    
 O    1.003300       2.744400      0.7248000    
 O    5.095900       1.471100      0.3480000    
 O   4.6100002E-02  -1.991400      -2.778800    
 N   -1.602500      7.5099997E-02  -1.514600    
 N  -0.7350000      -2.918900      0.4574000    
 C    2.865400       1.880400     -0.5053000    
 C    2.201500       1.985600      0.8681000    
 C    4.057400      0.9226000     -0.4653000    
 C    1.882100      0.5847000       1.408300    
 C    3.656200     -0.4227000      0.1371000    
 C    1.352300      0.6305000       2.838900    
 C    2.412300      -2.380200     -0.2428000    
 C    1.559400      -3.113500      -1.270600    
 C   -1.485600     -0.9366000     -0.5928000    
 C   -2.392700     -0.6724000      0.4328000    
 C   -3.068800      0.5440000      9.9600002E-02
 C  -0.6910000      -2.044500     -0.5470000    
 C   0.2887000      -2.354300      -1.630100    
 C   -2.554500      0.9859000      -1.119900    
 C   -2.466300      -1.572200       1.507800    
 C   -4.073700       1.311100      0.7256000    
 C   -1.613400      -2.666500       1.454000    
 C   -2.994100       2.157500      -1.746800    
 C   -3.386000      -1.419200       2.672200    
 C   -4.523300       2.485100      0.1110000    
 C   -3.990000       2.900300      -1.106900    
 H    2.135200       1.535700      -1.248200    
 H    2.858200       2.535800       1.553100    
 H    4.465000      0.8014000      -1.474700    
 H    1.110400      0.1128000      0.7897000    
 H    4.562100      -1.019400      0.3006000    
 H    2.078400       1.101800       3.510200    
 H   0.4056000       1.174000       2.905300    
 H    1.189800     -0.3857000       3.215200    
 H    2.517900       3.757500     -0.9105000    
 H   0.6683000       2.942100       1.615200    
 H    4.806600       1.442400       1.275500    
 H    1.859500      -2.253900      0.6929000    
 H    3.304400      -2.982100     -3.2800000E-02
 H    1.289600      -4.115100     -0.9200000    
 H    2.133000      -3.233500      -2.197800    
 H   -1.062600      0.1435000      -2.366300    
 H   -4.505700       1.010100       1.674900    
 H   -1.605700      -3.410700       2.245800    
 H   -2.579000       2.481500      -2.695300    
 H   -3.276900      -2.237700       3.391800    
 H   -3.173900     -0.4849000       3.201500    
 H   -4.427100      -1.414200       2.334400    
 H   -5.297100       3.078700      0.5905000    
 H   -4.353000       3.815400      -1.567700    


%chk=000158811-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158811

0 1
O 2.931809 -0.220228 1.565480
O 3.059789 -1.218189 -0.650486
O 3.794346 2.896981 -1.159566
O 1.185989 2.745735 -0.028905
O 5.265127 1.322121 0.865124
O 0.395250 -1.172309 -2.567837
N -1.657708 0.253398 -1.387878
N -0.571114 -2.770956 0.530452
C 3.238252 1.665282 -0.608670
C 2.288757 1.960013 0.565407
C 4.393873 0.744614 -0.163887
C 1.768000 0.642186 1.190385
C 3.790001 -0.560094 0.401740
C 0.952763 0.831643 2.468861
C 2.564638 -2.573092 -0.311283
C 1.578543 -2.979046 -1.422791
C -1.499475 -0.783813 -0.483397
C -2.467325 -0.643764 0.575485
C -3.236658 0.559471 0.271826
C -0.555698 -1.845781 -0.482575
C 0.459642 -1.956868 -1.564300
C -2.697999 1.091772 -0.956138
C -2.474679 -1.611420 1.610384
C -4.310332 1.234251 0.904378
C -1.499856 -2.648815 1.518965
C -3.204786 2.266137 -1.549090
C -3.450461 -1.567206 2.763637
C -4.821784 2.409076 0.315353
C -4.273493 2.917067 -0.896475
H 2.654811 1.120675 -1.382243
H 2.817676 2.565424 1.333268
H 5.055164 0.541366 -1.019795
H 1.172341 0.112597 0.423294
H 4.571872 -1.204300 0.847881
H 1.535006 1.377336 3.233870
H 0.021249 1.389280 2.258919
H 0.669906 -0.150113 2.885013
H 3.021410 3.482977 -1.370556
H 0.668479 3.189894 0.687501
H 4.770802 1.292216 1.727263
H 2.058963 -2.556256 0.670812
H 3.420352 -3.277533 -0.276912
H 1.156408 -3.962926 -1.149061
H 2.102343 -3.047097 -2.390713
H -1.064612 0.322810 -2.220427
H -4.743563 0.854604 1.834808
H -1.469420 -3.423227 2.294893
H -2.785858 2.661706 -2.479727
H -3.290671 -2.411104 3.455529
H -3.346268 -0.628635 3.340839
H -4.495963 -1.613832 2.404373
H -5.652487 2.939451 0.792538
H -4.690249 3.831818 -1.332266


