%chk=000111259.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111259

1 1
 O    1.476900      0.1281000     -0.7847000    
 O    1.833600      0.7917000       1.403100    
 N   -4.033500      0.2466000      0.2075000    
 N    3.669100      0.4504000      1.6000001E-02
 C   -2.527700      0.2254000     -6.6100001E-02
 C  -0.5205000     -0.9885000     -7.1800001E-02
 C   -1.951200       1.364200     -0.5198000    
 C   -1.893300     -0.9497000      0.1726000    
 C   -4.461200      -1.131200      0.7051000    
 C   -4.762200      0.6079000      -1.083900    
 C   -4.412800       1.275300       1.270800    
 C   0.2295000      -2.256100      0.1733000    
 C   0.1369000      0.1491000     -0.5403000    
 C  -0.5784000       1.325400     -0.7643000    
 C   -2.694600       2.635900     -0.7678000    
 C  -0.2573000      -3.409100     -0.7238000    
 C   0.1862000      -2.687700       1.650700    
 C    2.300800      0.4841000      0.3071000    
 C    4.644000      0.7927000       1.041800    
 C    4.213200      8.0600001E-02  -1.286600    
 C    4.941200       2.279400       1.004600    
 C    4.461400      -1.414500      -1.343600    
 H   -2.332200      -1.866000      0.5353000    
 H   -3.986100      -1.351000       1.667700    
 H   -5.544400      -1.094100      0.8776000    
 H   -4.294100      -1.881900     -7.5400002E-02
 H   -4.185200      0.2654000      -1.949100    
 H   -5.718400      7.1400002E-02  -1.081400    
 H   -5.013100       1.667700      -1.135900    
 H   -4.756800       2.212600      0.8321000    
 H   -5.257600      0.8796000       1.846100    
 H   -3.567900       1.421300       1.951000    
 H    1.289600      -2.123200     -6.9399998E-02
 H  -5.4600000E-02   2.205000      -1.131100    
 H   -1.969100       3.413600      -1.050200    
 H   -3.349100       2.592700      -1.637500    
 H   -3.159200       3.064800      0.1159000    
 H   -1.287600      -3.702600     -0.4969000    
 H   0.3759000      -4.292800     -0.5890000    
 H  -0.2142000      -3.123800      -1.780900    
 H   0.5479000      -1.884000       2.301700    
 H   0.8248000      -3.563000       1.812600    
 H  -0.8259000      -2.952300       1.974600    
 H    4.238100      0.5325000       2.025600    
 H    5.557300      0.2064000      0.8959000    
 H    3.503100      0.3610000      -2.071200    
 H    5.138800      0.6366000      -1.469300    
 H    5.360800       2.578500      3.8699999E-02
 H    4.033500       2.869600       1.169800    
 H    5.663400       2.541400       1.784000    
 H    5.177700      -1.730200     -0.5782000    
 H    3.536000      -1.977400      -1.184800    
 H    4.864700      -1.694500      -2.321600    


%chk=000111259-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000111259

1 1
O 1.537524 0.282327 -0.748682
O 1.959427 0.387424 1.585351
N -4.147560 0.190795 0.169865
N 3.721001 0.410264 0.020223
C -2.632683 0.237655 -0.131250
C -0.459173 -0.946848 0.041846
C -2.021989 1.400341 -0.699024
C -1.861743 -0.892403 0.216975
C -4.619619 -1.184897 0.655208
C -4.971010 0.496651 -1.088831
C -4.477875 1.181575 1.297003
C 0.318380 -2.211439 0.404968
C 0.151298 0.215476 -0.490162
C -0.615389 1.337880 -0.853659
C -2.683944 2.682846 -1.198012
C -0.186994 -3.438235 -0.401361
C 0.272525 -2.478471 1.933736
C 2.418672 0.361897 0.417384
C 4.765459 0.511966 1.077447
C 4.156114 0.368699 -1.400806
C 5.151892 1.972066 1.385387
C 4.361637 -1.069794 -1.917811
H -2.326662 -1.785324 0.637458
H -4.130985 -1.435760 1.606385
H -5.707311 -1.125210 0.812467
H -4.396928 -1.943256 -0.108610
H -4.673477 -0.212933 -1.874818
H -6.038891 0.376690 -0.848359
H -4.782736 1.521301 -1.422265
H -4.198729 2.197402 0.995808
H -5.557867 1.135258 1.509341
H -3.897960 0.893493 2.185874
H 1.374641 -2.046982 0.125939
H -0.086405 2.200552 -1.270838
H -1.927438 3.481584 -1.256627
H -3.085500 2.558876 -2.222006
H -3.495963 3.075917 -0.564052
H -1.231194 -3.697973 -0.141572
H 0.435263 -4.320659 -0.169496
H -0.137199 -3.260708 -1.490640
H 0.670184 -1.613079 2.489557
H 0.882949 -3.365270 2.181324
H -0.760024 -2.681324 2.278494
H 4.378095 0.023141 1.986926
H 5.643590 -0.061823 0.729115
H 3.408865 0.891498 -2.018350
H 5.101212 0.937996 -1.465210
H 5.521590 2.493644 0.484165
H 4.284664 2.527096 1.782021
H 5.953460 1.998301 2.144969
H 5.103172 -1.616106 -1.307902
H 3.410355 -1.629389 -1.898217
H 4.727479 -1.049427 -2.960076


