%chk=000127637.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127637

0 1
 O    3.588900      0.1138000      -1.210500    
 O    3.900000      0.5544000       1.620200    
 O   -4.844700      0.5125000      0.4381000    
 O   -3.446600     -0.3874000      -1.789400    
 N   0.3951000       1.784100     -0.4113000    
 N   -2.427500       1.991700      0.1791000    
 C  -0.4902000       2.639300      -1.211400    
 C  -0.3529000      0.6502000      0.1455000    
 C   -1.679800       3.126200     -0.3768000    
 C   -1.541900       1.138100      0.9805000    
 C    1.526900       1.317400      -1.209800    
 C    2.506000      0.5190000     -0.3618000    
 C   -3.560500       2.457300      0.9763000    
 C    3.043600       1.350600      0.7952000    
 C   -4.349200       1.280100       1.527200    
 C    4.650200     -0.3749000     -0.4951000    
 C    4.795200     -0.1708000      0.8789000    
 C    5.615200      -1.094300      -1.200500    
 C    5.882300     -0.7235000       1.556500    
 C   -4.425000     -0.7897000      0.3582000    
 C    6.709300      -1.634900     -0.5246000    
 C    6.839800      -1.454400      0.8528000    
 C   -3.726400      -1.233600     -0.7594000    
 C   -4.707000      -1.658100       1.407600    
 C   -3.305000      -2.561500     -0.8287000    
 C   -4.285400      -2.985800       1.338300    
 C   -3.584500      -3.437500      0.2203000    
 C   -2.726100     -0.9282000      -2.895300    
 H  -0.8567000       2.102700      -2.097200    
 H   6.3100003E-02   3.517100      -1.566700    
 H   0.2616000      5.8200002E-02  0.8301000    
 H  -0.7021000     -2.0199999E-02 -0.6496000    
 H   -1.322200       3.789900      0.4222000    
 H   -2.335100       3.719800      -1.025700    
 H   -2.035700      0.2343000       1.342400    
 H   -1.173000       1.680300       1.862300    
 H    2.057800       2.174300      -1.646600    
 H    1.195600      0.7087000      -2.062400    
 H    2.056600     -0.4127000      1.8000000E-03
 H   -3.235500       3.101100       1.803100    
 H   -4.223600       3.049000      0.3328000    
 H    3.615100       2.219000      0.4423000    
 H    2.242800       1.717300       1.444300    
 H   -5.226100       1.673300       2.056000    
 H   -3.796200      0.6992000       2.273800    
 H    5.516600      -1.247000      -2.271800    
 H    5.996300     -0.5802000       2.627500    
 H    7.458500      -2.201000      -1.070700    
 H    7.690500      -1.879900       1.377100    
 H   -5.261700      -1.321800       2.279100    
 H   -2.756900      -2.981900      -1.664700    
 H   -4.505000      -3.668700       2.153800    
 H   -3.257100      -4.471800      0.1674000    
 H   -2.586500     -0.1158000      -3.616200    
 H   -1.726600      -1.266500      -2.602000    
 H   -3.298000      -1.711300      -3.404500    


%chk=000127637-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127637

0 1
O 3.711927 -0.747956 -0.461734
O 4.573667 1.737869 0.823481
O -5.225402 0.479753 0.721297
O -4.714510 0.363675 -1.938414
N 0.352366 0.874212 -0.156460
N -2.350758 1.521000 0.633333
C -0.668953 1.273496 -1.160699
C -0.301167 0.184037 0.987780
C -1.716623 2.198112 -0.516919
C -1.349442 1.103380 1.635569
C 1.462170 0.086705 -0.742700
C 2.748089 0.245014 0.082202
C -3.521292 2.221252 1.193837
C 3.356584 1.647614 -0.013797
C -4.556036 1.249794 1.787152
C 5.034725 -0.561554 0.006061
C 5.448733 0.641183 0.645551
C 5.953144 -1.616231 -0.172189
C 6.768176 0.763495 1.126950
C -4.561856 -0.661008 0.228884
C 7.277301 -1.485834 0.299501
C 7.681934 -0.299246 0.959025
C -4.344171 -0.756545 -1.179256
C -4.203538 -1.739047 1.064528
C -3.764276 -1.930482 -1.715996
C -3.611016 -2.905718 0.525888
C -3.393980 -2.999247 -0.864360
C -4.573555 0.257795 -3.391292
H -1.195766 0.382321 -1.584445
H -0.163149 1.807917 -1.986688
H 0.463117 -0.082374 1.740350
H -0.804552 -0.756764 0.654571
H -1.215175 3.154405 -0.219384
H -2.500528 2.430499 -1.260435
H -1.853647 0.549445 2.448997
H -0.829632 1.985214 2.090912
H 1.656381 0.449959 -1.769699
H 1.229022 -1.001986 -0.821122
H 2.573390 0.001212 1.149607
H -3.237528 2.968008 1.981436
H -4.021417 2.774378 0.378660
H 3.620481 1.876976 -1.065988
H 2.657610 2.401334 0.377275
H -5.367901 1.814076 2.278204
H -4.093150 0.570855 2.530680
H 5.609219 -2.528068 -0.670894
H 7.058027 1.697463 1.618817
H 7.985656 -2.308935 0.159412
H 8.705464 -0.197884 1.334543
H -4.410263 -1.670503 2.138731
H -3.590218 -2.019363 -2.792852
H -3.341590 -3.736253 1.186971
H -2.945776 -3.901329 -1.294859
H -4.954682 1.211536 -3.785527
H -3.514010 0.127275 -3.690525
H -5.175324 -0.579430 -3.795973


