%chk=000100091.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100091

0 1
 O   -1.618300      -1.535600      -1.313900    
 O   -5.050500      -3.260900      -1.580200    
 O   -5.183200     -0.9869000      -1.494100    
 O    2.295600     -0.5550000      0.2864000    
 O   0.8861000      9.2699997E-02   1.980200    
 N   -3.153700     -0.9887000      0.3293000    
 N   0.1711000     -2.7000001E-03 -0.2264000    
 C   -3.963300      -2.194200      0.2087000    
 C   -4.826000      -2.208800       1.465200    
 C   -4.980700     -0.7288000       1.806700    
 C   -3.635500     -0.1370000       1.413700    
 C   -1.993600     -0.7943000     -0.4040000    
 C   -1.184900      0.4220000     -2.9899999E-02
 C   -4.790700      -2.048300      -1.033000    
 C   -1.578700       1.604900     -0.9046000    
 C  -0.7791000       2.842900     -0.5803000    
 C    1.098600     -0.1337000      0.7935000    
 C   0.4226000       3.090900      -1.243700    
 C   -1.241700       3.739200      0.3834000    
 C    1.161700       4.235200     -0.9435000    
 C  -0.5026000       4.883500      0.6834000    
 C   0.6989000       5.131500      2.0099999E-02
 C    3.349700     -0.7323000       1.239500    
 C    4.584900      -1.193600      0.5234000    
 C    4.821800      -2.557100      0.3489000    
 C    5.496300     -0.2590000      3.1500001E-02
 C    5.969900      -2.986100     -0.3170000    
 C    6.644400     -0.6881000     -0.6344000    
 C    6.881200      -2.051700     -0.8086000    
 H   -3.309600      -3.068700      0.1220000    
 H   -4.289100      -2.713300       2.277700    
 H   -5.791700      -2.705600       1.330700    
 H   -5.778900     -0.2867000       1.198800    
 H   -5.223600     -0.5582000       2.859200    
 H   -3.713000      0.9055000       1.095700    
 H   -2.926300     -0.2112000       2.245400    
 H   -1.306900      0.6756000       1.025800    
 H   -2.648500       1.826300     -0.8007000    
 H   -1.443200       1.360000      -1.967400    
 H   0.4696000     -0.2482000      -1.166200    
 H   -5.593000      -3.186700      -2.394200    
 H   0.7941000       2.402000      -1.997500    
 H   -2.175200       3.555100      0.9084000    
 H    2.097400       4.428400      -1.459900    
 H  -0.8624000       5.581000       1.434200    
 H    1.274600       6.022300      0.2540000    
 H    3.543900      0.2155000       1.756900    
 H    3.048700      -1.473000       1.990600    
 H    4.118100      -3.294800      0.7255000    
 H    5.321800      0.8061000      0.1591000    
 H    6.154100      -4.047700     -0.4533000    
 H    7.353800      3.9400000E-02  -1.017900    
 H    7.775000      -2.385700      -1.327300    


%chk=000100091-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100091

0 1
O -1.687804 -1.577978 -1.415647
O -5.335005 -3.033307 -1.739041
O -5.108551 -0.733483 -1.479767
O 2.529137 -0.028176 -0.204950
O 1.250640 0.802338 1.605168
N -3.027841 -1.187029 0.434176
N 0.272519 0.080158 -0.407023
C -3.936634 -2.292599 0.072271
C -4.780803 -2.497112 1.364111
C -4.845332 -1.073352 1.974669
C -3.446224 -0.480743 1.677699
C -1.955416 -0.890885 -0.375078
C -1.111127 0.346945 -0.020201
C -4.821030 -1.892557 -1.116928
C -1.717249 1.580863 -0.785989
C -0.991428 2.879472 -0.481521
C 1.325310 0.333686 0.438288
C 0.105634 3.300650 -1.275537
C -1.380767 3.686969 0.617820
C 0.799550 4.494488 -0.975978
C -0.690968 4.881104 0.921383
C 0.404152 5.288642 0.124653
C 3.770583 0.223849 0.570196
C 4.790928 -0.844728 0.238929
C 4.412454 -2.204978 0.114305
C 6.156123 -0.494559 0.096151
C 5.384552 -3.196378 -0.141903
C 7.131757 -1.487217 -0.150841
C 6.748702 -2.842433 -0.270434
H -3.370038 -3.191284 -0.219923
H -4.240345 -3.187631 2.035902
H -5.772005 -2.928970 1.152582
H -5.620734 -0.475904 1.464325
H -5.068349 -1.083023 3.054011
H -3.486953 0.611617 1.523474
H -2.732175 -0.691511 2.497454
H -1.109258 0.556218 1.063037
H -2.788426 1.660336 -0.517617
H -1.675919 1.347569 -1.866187
H 0.431875 -0.423161 -1.284027
H -5.912784 -2.765062 -2.504034
H 0.415931 2.690719 -2.132322
H -2.231996 3.380395 1.240048
H 1.644502 4.805556 -1.600934
H -1.005845 5.493123 1.774286
H 0.940501 6.215460 0.357592
H 4.142863 1.229564 0.302365
H 3.502689 0.230461 1.644265
H 3.354771 -2.476263 0.199279
H 6.459340 0.557065 0.176014
H 5.079745 -4.244307 -0.242331
H 8.184442 -1.202217 -0.258218
H 7.502304 -3.613000 -0.468120


