%chk=000091925.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091925

0 1
 O   -1.515500       2.522400      -1.267300    
 N    1.802200      0.2292000      0.8807000    
 N   -2.430400       1.619400      0.6653000    
 N    4.977700     -0.6822000     -0.6361000    
 N   -4.501200      -2.085900     -0.3593000    
 C  -2.2299999E-02   1.889700      0.5367000    
 C   0.5227000      0.4848000      0.2277000    
 C    2.256100      -1.128900      0.6181000    
 C    3.598400      -1.436000       1.279200    
 C   -1.386600       2.058900     -0.1361000    
 C    4.756000     -0.5558000      0.7992000    
 C   -4.249600      0.3771000     -0.4580000    
 C   -3.815300       1.656900      0.2538000    
 C   0.9296000       3.000600      8.7700002E-02
 C   -4.083800     -0.8974000      0.3746000    
 C    5.661600      0.5021000      -1.158800    
 C    5.752300      -1.888300     -0.9341000    
 C   -4.771200      -3.192000      0.5610000    
 C   -3.480600      -2.474800      -1.334400    
 H  -0.1598000       1.992500       1.621600    
 H   0.6314000      0.3735000     -0.8590000    
 H  -0.2165000     -0.2601000      0.5505000    
 H    1.519000      -1.844100       1.004800    
 H    2.332000      -1.302300     -0.4620000    
 H    3.498800      -1.310300       2.365600    
 H    3.835500      -2.495200       1.124900    
 H    1.712400      0.3747000       1.885700    
 H    5.664400     -0.7913000       1.369400    
 H    4.507500      0.4825000       1.056100    
 H   -5.301100      0.4835000     -0.7534000    
 H   -3.669900      0.3015000      -1.385100    
 H   -4.416000       1.810500       1.156500    
 H   -3.969700       2.518100     -0.4054000    
 H   0.4740000       3.985300      0.2398000    
 H    1.865700       2.975900      0.6547000    
 H    1.173900       2.910600     -0.9765000    
 H   -4.712900     -0.7726000       1.266400    
 H   -3.053600      -1.001400      0.7385000    
 H   -2.224600       1.236400       1.583200    
 H    5.054000       1.400200      -1.000000    
 H    5.809900      0.4151000      -2.241000    
 H    6.638900      0.6561000     -0.6872000    
 H    5.224400      -2.792500     -0.6153000    
 H    6.739700      -1.876900     -0.4579000    
 H    5.898800      -1.987700      -2.015800    
 H   -5.577900      -2.929800       1.254500    
 H   -3.886400      -3.467000       1.146600    
 H   -5.110000      -4.077000      1.0900000E-02
 H   -3.335000      -1.706500      -2.099500    
 H   -3.794600      -3.376600      -1.872900    
 H   -2.513100      -2.683500     -0.8627000    


%chk=000091925-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091925

0 1
O -1.250049 1.898619 -1.491585
N 1.891223 -0.292222 0.828157
N -2.400204 1.533013 0.494355
N 5.470204 -0.298680 -0.564984
N -5.231788 -1.924143 -0.104787
C 0.075610 1.403447 0.524118
C 0.709002 0.072239 0.022185
C 2.704498 -1.407687 0.286315
C 4.024364 -1.560273 1.070247
C -1.233480 1.640359 -0.247569
C 4.978002 -0.368280 0.833415
C -4.299287 0.352248 -0.687780
C -3.734154 1.676432 -0.120688
C 1.042012 2.593231 0.326334
C -4.547741 -0.709369 0.401703
C 5.898162 1.061658 -0.948612
C 6.507204 -1.303603 -0.868640
C -5.697410 -2.785814 1.001387
C -4.423448 -2.685144 -1.080305
H -0.149293 1.291042 1.607772
H 1.031979 0.215936 -1.025370
H -0.076397 -0.726010 0.010417
H 2.152817 -2.380690 0.284699
H 2.958073 -1.167525 -0.763230
H 3.811814 -1.638125 2.157346
H 4.509666 -2.512226 0.779622
H 1.634437 -0.466848 1.811735
H 5.826618 -0.410219 1.564827
H 4.406309 0.555581 1.037481
H -5.258625 0.562984 -1.198496
H -3.592630 -0.015902 -1.453145
H -4.422802 2.099249 0.635943
H -3.631461 2.405130 -0.943732
H 0.674001 3.504951 0.831178
H 2.033826 2.328587 0.730929
H 1.139454 2.811906 -0.751636
H -5.199606 -0.268701 1.183631
H -3.571506 -0.968123 0.896400
H -2.332680 1.303956 1.486517
H 5.064707 1.769864 -0.795607
H 6.168774 1.077918 -2.020337
H 6.781572 1.432973 -0.367573
H 6.131601 -2.320491 -0.661016
H 7.447545 -1.156573 -0.275798
H 6.768877 -1.255358 -1.941206
H -6.370079 -2.212059 1.664208
H -4.863290 -3.197828 1.627089
H -6.267713 -3.639342 0.592964
H -4.200081 -2.065353 -1.964066
H -4.997768 -3.564208 -1.422888
H -3.451557 -3.049128 -0.656024


