%chk=000036836.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036836

0 1
 O  -0.6662000       1.509900      0.5550000    
 O   -3.898500      -1.801400      0.3804000    
 O   0.2798000      -2.650900      -1.282400    
 N  -0.1698000     -0.4826000     -0.5419000    
 N   -1.817700      -2.178000     -0.5089000    
 C   -2.522600      0.1268000     -0.1293000    
 C   -3.341600      0.8887000      0.9247000    
 C   -2.954500      0.5904000      -1.532300    
 C   -1.040200      0.4624000      2.4599999E-02
 C   -2.825600      -1.359000     -2.7500000E-02
 C    1.229400     -0.1040000     -0.7001000    
 C  -0.5104000      -1.818600     -0.8294000    
 C    2.077800     -0.4763000      0.5134000    
 C   -2.948400      0.4722000       2.302800    
 C   -2.622500       2.031200      -1.741900    
 C    3.522400     -6.4000003E-02  0.3704000    
 C   -3.799100     -5.8300000E-02   3.188500    
 C   -3.532000       2.968400      -2.031100    
 C    4.427800     -0.9452000     -0.1999000    
 C    3.918800       1.189100      0.8114000    
 C    5.763000     -0.5642000     -0.3324000    
 C    5.254000       1.570200      0.6788000    
 C    6.176100      0.6935000      0.1069000    
 H   -4.416700      0.7303000      0.7656000    
 H   -3.182000       1.972100      0.8619000    
 H   -4.026700      0.4047000      -1.680700    
 H   -2.440600      1.0500000E-02  -2.310200    
 H    1.287900      0.9765000     -0.8813000    
 H    1.628300     -0.5932000      -1.597600    
 H   -2.039400      -3.166900     -0.5844000    
 H    1.658300     -1.8700000E-02   1.419400    
 H    2.025600      -1.557900      0.6953000    
 H   -1.925100      0.6359000       2.628700    
 H   -1.579000       2.333800      -1.742200    
 H   -3.459800     -0.3267000       4.183100    
 H   -4.840100     -0.2349000       2.941800    
 H   -3.226600       3.993100      -2.212900    
 H   -4.589300       2.734800      -2.088800    
 H    4.114800      -1.925800     -0.5470000    
 H    3.207400       1.879300       1.255900    
 H    6.480900      -1.246400     -0.7783000    
 H    5.575700       2.549700       1.020200    
 H    7.215600      0.9904000      3.4000000E-03


%chk=000036836-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036836

0 1
O -0.566455 1.636608 0.054462
O -4.084275 -1.682710 -0.121662
O 0.315402 -2.813274 -1.025501
N -0.129393 -0.547393 -0.596562
N -1.874655 -2.178396 -0.575424
C -2.529674 0.213886 -0.268225
C -3.231540 0.899737 0.949553
C -3.103672 0.807813 -1.632772
C -1.018009 0.493666 -0.231533
C -2.906788 -1.273502 -0.289354
C 1.325627 -0.236938 -0.693208
C -0.506972 -1.900304 -0.756867
C 2.057154 -0.430905 0.662277
C -2.685885 0.445902 2.288781
C -3.003994 2.312543 -1.760420
C 3.531412 -0.078712 0.529149
C -3.363758 -0.322860 3.177543
C -4.063772 3.115030 -2.030993
C 4.479495 -1.062190 0.146241
C 3.977056 1.251873 0.738907
C 5.842097 -0.725865 -0.019869
C 5.338711 1.591892 0.574001
C 6.275900 0.603296 0.193289
H -4.309696 0.674787 0.874507
H -3.092365 1.989576 0.833934
H -4.160733 0.489745 -1.693535
H -2.563640 0.322714 -2.472870
H 1.414318 0.810604 -1.022017
H 1.758006 -0.904622 -1.455541
H -2.129479 -3.169252 -0.647166
H 1.572871 0.214756 1.417397
H 1.938453 -1.483259 0.978826
H -1.670900 0.792885 2.535925
H -2.004683 2.752816 -1.644371
H -2.923116 -0.612471 4.138454
H -4.377695 -0.683685 2.965531
H -3.943694 4.197505 -2.150895
H -5.079267 2.714451 -2.143922
H 4.147408 -2.095430 -0.015632
H 3.253810 2.020712 1.038726
H 6.563691 -1.497700 -0.310771
H 5.669205 2.622746 0.744993
H 7.332692 0.864823 0.068312


