%chk=000035334.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035334

0 1
 O   -2.824300     -0.7363000      -1.127500    
 N    3.323600      0.8778000     -8.9999998E-04
 N    3.442700     -0.7296000      -1.774600    
 C    2.533400       1.633900      0.9673000    
 C    4.750600       1.188200     -1.4700000E-02
 C    1.298400     -0.2734000     -0.9156000    
 C    2.739400     -3.7700001E-02 -0.9061000    
 C   0.6911000      -1.258900     -0.1204000    
 C  -0.7126000      -1.429100     -0.1812000    
 C    2.024300       2.933100      0.3519000    
 C    5.526300      0.2014000      0.8518000    
 C   -1.467600     -0.6090000      -1.035400    
 C   -4.949700     -5.9599999E-02 -0.2484000    
 C   0.5328000      0.5326000      -1.758500    
 C   -5.834200       1.118200      0.1544000    
 C   -3.603700      0.4061000     -0.7852000    
 C  -0.8475000      0.3651000      -1.818400    
 C    1.445900      -2.079100      0.7338000    
 C   -7.166700      0.6412000      0.7314000    
 C   -1.320000      -2.414600      0.6140000    
 C    1.155400       3.738600       1.307900    
 C    7.027500      0.4545000      0.8353000    
 C   0.8259000      -3.053100       1.516900    
 C  -0.5544000      -3.220600       1.457100    
 C   -8.036500       1.810400       1.165100    
 H    1.696300       1.038500       1.346900    
 H    3.141900       1.863600       1.851600    
 H    4.920900       2.203700      0.3659000    
 H    5.140500       1.206900      -1.038800    
 H    1.451500       2.744600     -0.5584000    
 H    2.876200       3.553700      4.8000000E-02
 H    5.339000     -0.8246000      0.5131000    
 H    5.167100      0.2550000       1.886700    
 H   -5.453200     -0.6719000      -1.006800    
 H   -4.785500     -0.7219000      0.6110000    
 H    1.001200       1.286300      -2.386600    
 H   -6.017300       1.757100     -0.7180000    
 H   -5.311900       1.730900      0.8995000    
 H   -3.748000       1.018900      -1.682300    
 H   -3.093900       1.010900     -2.4000000E-02
 H   -1.426000      0.9934000      -2.490400    
 H    2.526100      -1.981600      0.8124000    
 H   -6.987400     -1.0900000E-02   1.594100    
 H   -7.705400      4.8500001E-02 -1.7100001E-02
 H   -2.396300      -2.571300      0.5914000    
 H   0.2663000       3.170100       1.598700    
 H   0.8257000       4.667000      0.8313000    
 H    1.710100       3.999100       2.214800    
 H    7.427100      0.3641000     -0.1798000    
 H    7.542200     -0.2728000       1.470500    
 H    7.258300       1.457300       1.208500    
 H    1.421000      -3.680800       2.173900    
 H   -1.036400      -3.979000       2.067200    
 H    4.439100     -0.5242000      -1.690600    
 H   -7.539100       2.403700       1.939000    
 H   -8.260600       2.467600      0.3188000    
 H   -8.984700       1.446500       1.573100    


%chk=000035334-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000035334

0 1
O -2.974467 -0.297001 0.337863
N 3.510053 0.847907 0.137708
N 2.896433 0.362378 -2.176098
C 3.063563 1.520062 1.382743
C 4.952393 0.932292 -0.180383
C 1.161525 0.292252 -0.513243
C 2.603449 0.513526 -0.894297
C 0.737661 -0.707684 0.443998
C -0.675778 -0.883536 0.712304
C 2.972261 3.060512 1.251320
C 5.621212 -0.456836 -0.326885
C -1.632781 -0.060700 0.010413
C -5.367204 0.007089 0.139942
C 0.189922 1.040066 -1.184951
C -6.536836 0.745053 -0.551502
C -4.006574 0.477589 -0.377406
C -1.203115 0.882454 -0.930908
C 1.662571 -1.570728 1.124614
C -7.920434 0.273904 -0.047932
C -1.104744 -1.879748 1.647118
C 2.569320 3.729277 2.582775
C 7.108324 -0.340902 -0.722692
C 1.219606 -2.541224 2.026320
C -0.174941 -2.694882 2.297196
C -9.090323 1.006393 -0.739048
H 2.078653 1.122263 1.676348
H 3.769768 1.255827 2.194969
H 5.446264 1.489021 0.636624
H 5.124506 1.526958 -1.105219
H 2.231539 3.303547 0.464723
H 3.946292 3.463354 0.908131
H 5.074076 -1.051732 -1.082142
H 5.524346 -0.998039 0.634205
H -5.456229 -1.083235 -0.029379
H -5.412277 0.168391 1.234236
H 0.519773 1.754064 -1.946067
H -6.478850 0.591040 -1.649476
H -6.442290 1.838435 -0.383340
H -3.910991 0.297594 -1.468617
H -3.856403 1.560213 -0.182485
H -1.915313 1.501324 -1.483001
H 2.731081 -1.458764 0.915231
H -7.980348 0.427897 1.048629
H -8.014811 -0.818333 -0.214544
H -2.176923 -1.990340 1.831324
H 1.584693 3.363863 2.930163
H 2.501731 4.826804 2.474561
H 3.307246 3.514379 3.379171
H 7.224007 0.169946 -1.697496
H 7.575085 -1.338273 -0.810084
H 7.682160 0.234560 0.028550
H 1.944587 -3.193235 2.526685
H -0.512453 -3.457317 3.007927
H 3.888137 0.578892 -2.406661
H -9.037281 2.097037 -0.560335
H -9.068511 0.844578 -1.833372
H -10.067457 0.650270 -0.364630


