%chk=000045252.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045252

0 1
 O   -1.157200      -1.464500      0.4279000    
 O    4.512800       1.130500      3.9999999E-04
 O  -0.5341000      -2.464600      -1.549700    
 N   -4.202000      0.2186000      0.4777000    
 C   -4.007200       1.657000      0.1826000    
 C   -4.807200       2.059000      -1.072900    
 C   -5.629000     -9.7599998E-02  0.6661000    
 C   -6.286000       1.719600     -0.9381000    
 C   -6.455900      0.2544000     -0.5683000    
 C   -3.453000     -0.2190000       1.659100    
 C   -2.533800       2.018600     -5.3599998E-02
 C   -3.222800      -1.726100       1.611800    
 C   -2.412200      -2.129400      0.3874000    
 C  -0.3093000      -1.722200     -0.6064000    
 C    6.911500      0.9477000      0.2850000    
 C   0.9615000     -0.9714000     -0.4458000    
 C    5.691100      0.5388000     -0.5445000    
 C    6.774500      0.4928000       1.739500    
 C    8.188600      0.3800000     -0.3306000    
 C    3.348900      0.4402000     -0.1452000    
 C    1.970600      -1.096300      -1.400800    
 C    1.146200     -0.1407000      0.6594000    
 C    3.164200     -0.3905000      -1.250500    
 C    2.339700      0.5651000      0.8097000    
 H   -4.370100       2.257200       1.028700    
 H   -4.705500       3.135900      -1.254600    
 H   -4.398500       1.548500      -1.955300    
 H   -5.775500      -1.166800      0.8500000    
 H   -6.033300      0.4369000       1.536400    
 H   -6.739400       2.351100     -0.1644000    
 H   -6.808400       1.934100      -1.876900    
 H   -6.147700     -0.3769000      -1.411400    
 H   -7.514200      4.1499998E-02 -0.3793000    
 H   -3.975500      5.3199999E-02   2.585500    
 H   -2.468800      0.2490000       1.735200    
 H   -1.951600       2.024000      0.8722000    
 H   -2.446100       3.027300     -0.4736000    
 H   -2.060500       1.326300     -0.7589000    
 H   -4.158900      -2.291500       1.643700    
 H   -2.661200      -2.003900       2.513000    
 H   -2.940300      -1.884300     -0.5410000    
 H   -2.244500      -3.212700      0.4134000    
 H    6.978600       2.043100      0.2893000    
 H    5.633500     -0.5581000     -0.5406000    
 H    5.809200      0.8861000      -1.577900    
 H    6.668900     -0.5954000       1.806700    
 H    5.900900      0.9484000       2.217000    
 H    7.656200      0.7832000       2.320700    
 H    8.172500     -0.7151000     -0.3437000    
 H    9.069000      0.6985000      0.2376000    
 H    8.312200      0.7298000      -1.361000    
 H    1.843200      -1.733100      -2.272200    
 H   0.3869000     -1.2900000E-02   1.425800    
 H    3.911200     -0.4925000      -2.032200    
 H    2.478500       1.211300       1.672200    


%chk=000045252-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045252

0 1
O -1.215714 -1.518881 0.568715
O 4.861184 0.432390 0.683340
O -0.613757 -2.301223 -1.544877
N -4.500738 0.352358 0.437688
C -4.262700 1.767366 0.000784
C -5.097467 2.053793 -1.275447
C -5.945108 0.090782 0.682924
C -6.600975 1.768590 -1.083322
C -6.797057 0.324595 -0.577585
C -3.680270 -0.107054 1.590021
C -2.773407 2.049452 -0.293024
C -3.429693 -1.634396 1.552790
C -2.593095 -2.056630 0.346469
C -0.305201 -1.712509 -0.475709
C 7.198707 1.010465 0.335552
C 1.034738 -1.149925 -0.162863
C 5.961286 0.360181 -0.301070
C 7.663474 0.231472 1.586269
C 8.323865 1.113914 -0.721559
C 3.623267 -0.111528 0.335740
C 2.051428 -1.248740 -1.145285
C 1.330666 -0.522047 1.079337
C 3.340784 -0.735540 -0.908769
C 2.611993 -0.007996 1.327976
H -4.611184 2.477684 0.799977
H -4.940415 3.110209 -1.568160
H -4.700087 1.418625 -2.092391
H -6.059376 -0.955282 1.021115
H -6.330807 0.745062 1.510858
H -7.021116 2.477727 -0.339820
H -7.148991 1.932298 -2.030789
H -6.483587 -0.392138 -1.361050
H -7.861881 0.128083 -0.345730
H -4.154856 0.165301 2.565781
H -2.698176 0.389940 1.559806
H -2.149750 2.110931 0.615518
H -2.681193 3.017899 -0.817659
H -2.358035 1.260801 -0.946773
H -4.390857 -2.182752 1.511376
H -2.921053 -1.946635 2.485465
H -2.997748 -1.624418 -0.585423
H -2.520189 -3.153966 0.239158
H 6.907666 2.034195 0.645370
H 6.162953 -0.702742 -0.552736
H 5.662160 0.899901 -1.223242
H 7.992130 -0.790032 1.311837
H 6.845788 0.144091 2.321852
H 8.515745 0.741387 2.071376
H 8.627393 0.111042 -1.079129
H 9.217027 1.597095 -0.286998
H 8.009489 1.710056 -1.598955
H 1.809691 -1.735373 -2.096144
H 0.547296 -0.448881 1.838486
H 4.107133 -0.823538 -1.683593
H 2.859324 0.476740 2.277121


