%chk=000100914.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100914

0 1
 O   -3.952200       2.688200      0.3143000    
 O   -6.478200      -1.195000      0.3980000    
 O    3.950700       2.688500     -0.3145000    
 O    6.477000      -1.194600     -0.3977000    
 N   -4.779700      0.4627000      0.3212000    
 N    4.778300      0.4629000     -0.3213000    
 C  -5.0000002E-04  -2.651700      3.0000001E-04
 C   -1.248400      -1.838800      7.8100003E-02
 C    1.267500      -1.825600     -7.9099998E-02
 C   -3.074800     -0.6982000      -1.017500    
 C    3.073500     -0.6977000       1.017800    
 C   -3.582700     -0.3182000      0.2246000    
 C    3.581400     -0.3179000     -0.2246000    
 C   -1.907600      -1.458600      -1.090900    
 C    1.906400      -1.458200       1.091100    
 C   -1.756300      -1.458800       1.320400    
 C    1.755100      -1.458900      -1.320100    
 C   -3.760000     -0.3049000      -2.285900    
 C    3.758700     -0.3043000       2.286000    
 C   -2.923400     -0.6985000       1.393600    
 C    2.922200     -0.6984000      -1.393400    
 C   -3.256800       1.030700      -2.824400    
 C    3.255500       1.031400       2.824300    
 C   -4.831000       1.842000      0.3366000    
 C   -6.058400     -4.9400002E-02  0.4132000    
 C    4.829500       1.842300     -0.3368000    
 C    6.057100     -4.8900001E-02 -0.4131000    
 C   -6.249400       2.214100      0.4408000    
 C   -6.971800       1.099600      0.4971000    
 C    6.247900       2.214500     -0.4410000    
 C    6.970400       1.100000     -0.4972000    
 H  -4.8599999E-02  -3.330300     -0.8630000    
 H   5.9099998E-02  -3.330000      0.8631000    
 H   -1.510000      -1.753900      -2.059100    
 H    1.505900      -1.755300       2.056700    
 H   -1.253400      -1.748400       2.239300    
 H    1.249400      -1.750500      -2.235800    
 H   -4.847600     -0.2691000      -2.160800    
 H   -3.593100      -1.078400      -3.047100    
 H    4.846400     -0.2685000       2.160900    
 H    3.591700      -1.077700       3.047300    
 H   -3.310000     -0.4079000       2.367100    
 H    3.308700     -0.4081000      -2.367100    
 H   -2.180300      0.9952000      -3.023700    
 H   -3.765000       1.270700      -3.763900    
 H   -3.439000       1.850800      -2.126600    
 H    3.437600       1.851400       2.126500    
 H    3.763600       1.271600       3.763800    
 H    2.178900      0.9959000       3.023700    
 H   -6.613200       3.227200      0.4747000    
 H   -8.043000       1.022400      0.5787000    
 H    6.611700       3.227700     -0.4750000    
 H    8.041500       1.022900     -0.5786000    


%chk=000100914-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100914

0 1
O -4.565840 2.232852 -2.031197
O -5.886140 0.094259 1.955288
O 4.563405 2.252978 2.035461
O 5.858137 0.132504 -1.969017
N -4.894353 0.907230 -0.066053
N 4.880456 0.935208 0.063235
C 0.001507 -2.213840 0.013793
C -1.283909 -1.389217 -0.023022
C 1.281663 -1.379688 0.043765
C -3.492529 -0.903904 -1.054033
C 3.499576 -0.891131 1.052757
C -3.688391 0.112075 -0.081551
C 3.678441 0.134186 0.086743
C -2.275339 -1.632613 -0.998918
C 2.285977 -1.626158 1.005696
C -1.518355 -0.374407 0.941169
C 1.498536 -0.354777 -0.913648
C -4.512489 -1.229916 -2.135949
C 4.534105 -1.219517 2.119970
C -2.710203 0.368875 0.908952
C 2.686865 0.394665 -0.889145
C -4.065338 -0.754096 -3.544888
C 4.103476 -0.752189 3.536943
C -5.235251 1.913570 -1.020244
C -5.891118 0.854921 0.960147
C 5.225209 1.940005 1.017529
C 5.868307 0.890546 -0.971937
C -6.542349 2.505879 -0.557893
C -6.923266 1.891277 0.593759
C 6.524721 2.540738 0.544674
C 6.898611 1.930942 -0.611827
H 0.020459 -2.882656 -0.869341
H -0.011534 -2.875774 0.902190
H -2.107434 -2.422343 -1.743321
H 2.131152 -2.423008 1.745335
H -0.761462 -0.161643 1.704317
H 0.731279 -0.138935 -1.665443
H -5.490235 -0.777240 -1.891173
H -4.670175 -2.326014 -2.159383
H 5.507143 -0.762281 1.865060
H 4.695546 -2.315164 2.135960
H -2.894430 1.154296 1.649309
H 2.857830 1.187726 -1.624550
H -3.110909 -1.228415 -3.837702
H -4.824345 -1.019561 -4.303379
H -3.924618 0.339927 -3.555984
H 3.958996 0.341260 3.555613
H 4.873157 -1.018744 4.284238
H 3.154533 -1.231263 3.839702
H -7.036205 3.302659 -1.114519
H -7.806826 2.059772 1.209853
H 7.019447 3.338623 1.098945
H 7.775807 2.105520 -1.235288


