%chk=000094160.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094160

0 1
 O    4.702000     -0.5472000     -0.2825000    
 O   -1.401700      -1.346200      -2.632600    
 O    1.537500       2.761600      0.5337000    
 O    3.062200       3.179000      -1.157600    
 N   0.1342000      -2.278300     -2.6799999E-02
 N   -2.934700      0.2419000      -1.844100    
 C  -0.4233000     -0.9656000      0.3212000    
 C   -1.856800      -1.101400     -0.2049000    
 C   0.4425000      0.1737000     -0.2304000    
 C    2.397900      -1.389300     -3.3199999E-02
 C    1.876100      2.7000001E-02  0.3221000    
 C   -2.197300      -2.582800      5.7900000E-02
 C    1.470000      -2.480000      0.5297000    
 C  -0.8621000      -3.247200      0.4171000    
 C   -2.831200     -0.1286000      0.4036000    
 C    3.878600      -1.541000      0.3632000    
 C   -1.997500     -0.7884000      -1.723000    
 C    2.876500       1.035000     -0.1644000    
 C   -3.425000      0.6298000     -0.6034000    
 C   -3.173800      8.6199999E-02   1.727500    
 C    4.163900      -1.516200       1.864100    
 C    4.145600      0.6985000     -0.4343000    
 C   -4.361800       1.611300     -0.3463000    
 C    2.525800       2.444800     -0.3413000    
 C   -4.120400       1.074600       2.015900    
 C   -4.709200       1.831100      0.9871000    
 C    1.081900       4.117600      0.4815000    
 H  -0.4490000     -0.8643000       1.417700    
 H  -2.1299999E-02   1.119600      6.0199998E-02
 H   0.4733000      0.1586000      -1.326800    
 H    2.372100      -1.478500      -1.132700    
 H    1.818700      0.1254000       1.415500    
 H   -2.631900      -3.061100     -0.8281000    
 H   -2.906800      -2.715600      0.8827000    
 H    1.847900      -3.465400      0.2332000    
 H    1.446900      -2.447000       1.625600    
 H  -0.8134000      -3.412400       1.500800    
 H  -0.7463000      -4.211800     -8.6800002E-02
 H    4.232800      -2.506900     -1.7800000E-02
 H   -3.230800      0.6575000      -2.719400    
 H   -2.724900     -0.4930000       2.527100    
 H    5.239000      -1.632900       2.042100    
 H    3.881000     -0.5617000       2.318700    
 H    3.644100      -2.322400       2.388500    
 H    4.899800       1.381900     -0.8027000    
 H   -4.814200       2.192200      -1.141900    
 H   -4.405400       1.261500       3.047900    
 H   -5.442300       2.593800       1.235300    
 H    1.901400       4.801900      0.7207000    
 H   0.2924000       4.239500       1.227800    
 H   0.6681000       4.339500     -0.5068000    


%chk=000094160-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094160

0 1
O 4.715410 -0.648735 -0.328528
O -1.510258 -1.129989 -2.812726
O 1.437614 2.837116 0.267454
O 3.383884 3.292184 -0.932106
N 0.125455 -2.338243 0.077404
N -2.909811 0.467562 -1.780899
C -0.443210 -0.981905 0.241904
C -1.917380 -1.127982 -0.310895
C 0.463865 0.096546 -0.371815
C 2.402364 -1.447507 0.047864
C 1.868225 -0.003788 0.293872
C -2.185687 -2.677915 -0.210124
C 1.456032 -2.490189 0.684392
C -0.939650 -3.265150 0.501392
C -2.892425 -0.215798 0.420466
C 3.871123 -1.609601 0.473863
C -2.045320 -0.641311 -1.786335
C 2.895571 1.000122 -0.218370
C -3.438081 0.727254 -0.493499
C -3.273089 -0.171786 1.770452
C 4.188421 -1.395945 1.961778
C 4.178013 0.605686 -0.525316
C -4.355248 1.715294 -0.093578
C 2.638141 2.447836 -0.366078
C -4.202210 0.814278 2.197155
C -4.732016 1.745472 1.273199
C 1.137973 4.284849 0.200660
H -0.553449 -0.744954 1.337441
H 0.038769 1.097362 -0.193279
H 0.554781 -0.065078 -1.461297
H 2.370263 -1.623139 -1.046705
H 1.720360 0.147506 1.386537
H -2.250780 -3.090181 -1.231024
H -3.124729 -2.894339 0.325594
H 1.823606 -3.516212 0.488530
H 1.424743 -2.347799 1.798076
H -1.084437 -3.263822 1.614172
H -0.715255 -4.299268 0.185174
H 4.253850 -2.592654 0.145227
H -3.155603 0.969618 -2.634100
H -2.864444 -0.890918 2.490058
H 5.275726 -1.480223 2.128762
H 3.861498 -0.401892 2.312345
H 3.686240 -2.165370 2.575519
H 4.908069 1.299055 -0.953797
H -4.770680 2.437105 -0.805024
H -4.510687 0.855736 3.247119
H -5.446866 2.502114 1.615413
H 1.933403 4.865055 0.698518
H 0.177950 4.397252 0.724921
H 1.061065 4.614992 -0.849164


