%chk=000037770.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037770

0 1
 O    6.346400      0.9745000      8.0499999E-02
 O    4.340300       2.881100     -0.1540000    
 O   -3.919500     -0.7114000      0.9444000    
 O   -2.945700       1.884500       1.141600    
 N   0.7077000      -2.045200     -0.4294000    
 N   -1.646200      -2.020800     -7.2600000E-02
 N  -0.2852000      -3.749100      0.6741000    
 C    3.062600      -2.639700     -0.2899000    
 C    1.739400      -2.904800      -1.000400    
 C   0.9276000     -0.6023000     -0.5444000    
 C    3.397500      -1.171200     -0.2779000    
 C    2.377200     -0.2080000     -0.3763000    
 C    4.727100     -0.7598000     -0.1131000    
 C    2.712900       1.153400     -0.3399000    
 C  -0.4621000      -2.545700      3.2900002E-02
 C    5.046600      0.5969000     -7.3399998E-02
 C    4.040700       1.552800     -0.1893000    
 C   -2.754000      -2.763500      0.5146000    
 C   -4.039000      -1.980900      0.3157000    
 C    6.816500       1.150900       1.415500    
 C    3.252100       3.794600     -0.2795000    
 C   -4.593100      0.3314000      0.3638000    
 C   -4.100800       1.627900      0.4669000    
 C   -5.772700      7.5099997E-02 -0.3274000    
 C   -4.796000       2.680600     -0.1283000    
 C   -6.467700       1.127800     -0.9226000    
 C   -5.979400       2.430500     -0.8231000    
 C   -1.733300       1.840200      0.3917000    
 H    3.008100      -2.989700      0.7482000    
 H    3.855700      -3.203100     -0.7955000    
 H    1.502200      -3.973700     -0.9660000    
 H    1.837400      -2.663400      -2.067700    
 H   0.5676000     -0.2599000      -1.521500    
 H   0.3576000     -9.4300002E-02  0.2400000    
 H    5.516700      -1.501800     -1.7700000E-02
 H    1.887500       1.852300     -0.4320000    
 H   0.6404000      -4.075400      0.9304000    
 H   -1.047300      -4.297200       1.054500    
 H   -2.597400      -2.887000       1.593500    
 H   -2.871000      -3.745600      4.1400000E-02
 H   -4.199300      -1.888800     -0.7668000    
 H   -4.878300      -2.526100      0.7620000    
 H    6.243500       1.931400       1.926100    
 H    6.750500      0.2108000       1.972500    
 H    7.864700       1.458800       1.371700    
 H    2.550200       3.704000      0.5565000    
 H    2.757400       3.702600      -1.252500    
 H    3.672800       4.804400     -0.2321000    
 H   -6.206400     -0.9174000     -0.4012000    
 H   -4.421900       3.698200     -5.4099999E-02
 H   -7.393400      0.9349000      -1.457200    
 H   -6.521600       3.250500      -1.285000    
 H   -1.645100       2.740600     -0.2240000    
 H  -0.8963000       1.812900       1.094100    
 H   -1.697900      0.9523000     -0.2460000    


%chk=000037770-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037770

0 1
O 5.759470 1.488412 0.499618
O 3.850981 2.771148 -1.186199
O -3.458779 -0.783036 0.232961
O -2.663743 0.895214 2.375479
N 0.717146 -2.537386 -0.225069
N -1.501098 -2.581306 -0.994683
N -0.748261 -4.134445 0.719185
C 2.955449 -2.579767 0.811668
C 1.941695 -3.348742 -0.057717
C 0.920326 -1.294412 -0.989044
C 3.158653 -1.164836 0.282570
C 2.188774 -0.564718 -0.557893
C 4.313822 -0.422434 0.629961
C 2.402818 0.749501 -1.043271
C -0.576073 -3.083373 -0.202063
C 4.533598 0.885751 0.160111
C 3.562494 1.479691 -0.706632
C -2.920994 -2.893091 -0.796746
C -3.751877 -1.613863 -0.947085
C 5.717115 2.846421 1.079742
C 2.904981 3.365367 -2.133417
C -3.959513 0.526007 0.267194
C -3.528033 1.343913 1.359454
C -4.869798 1.053010 -0.680970
C -4.050815 2.647500 1.495315
C -5.376891 2.365019 -0.534657
C -4.977419 3.161942 0.559612
C -1.369966 0.304945 1.966801
H 2.581921 -2.542362 1.855178
H 3.920606 -3.121790 0.831612
H 1.681676 -4.321690 0.388092
H 2.391463 -3.552107 -1.055890
H 0.959681 -1.511013 -2.081363
H 0.026050 -0.663839 -0.846065
H 5.084183 -0.856942 1.277027
H 1.648160 1.194100 -1.701540
H -0.208268 -4.155698 1.581791
H -1.606582 -4.677365 0.689965
H -3.171705 -3.337026 0.196904
H -3.270903 -3.605447 -1.575516
H -3.450088 -1.079843 -1.869358
H -4.837437 -1.843592 -0.981657
H 5.299805 3.571054 0.361874
H 5.118568 2.849401 2.011895
H 6.766255 3.087742 1.310025
H 1.908413 3.511350 -1.672962
H 2.805926 2.742670 -3.043492
H 3.337908 4.341686 -2.396915
H -5.203439 0.438551 -1.522734
H -3.710488 3.241432 2.349712
H -6.086383 2.753682 -1.273306
H -5.372499 4.175745 0.682833
H -0.774622 1.042677 1.392989
H -0.856544 0.072587 2.912487
H -1.519418 -0.606294 1.365989


