%chk=000041025.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041025

0 1
 O   -2.255700       1.808500      -1.281100    
 N    2.490300     -0.8095000     -9.4700001E-02
 N   -1.089500      0.2665000      8.6900003E-02
 N   -1.670800      -2.018800     -9.2100002E-02
 C    3.294100      -1.339300      -1.205100    
 C    3.111500      0.3890000      0.4863000    
 C    1.129800     -0.5141000     -0.5434000    
 C    4.706200      -1.699700     -0.7411000    
 C    4.517800      8.5000001E-02   1.005800    
 C    5.397200     -0.5073000     -8.9400001E-02
 C   0.2203000     -6.1999999E-02  0.6060000    
 C   8.7800004E-02  -1.104700       1.713500    
 C   -1.430600       1.563900     -0.3973000    
 C   -2.109200     -0.7784000      5.7000000E-02
 C  -0.6496000       2.714800      0.2332000    
 C   -1.057000       4.079700     -0.3237000    
 C   -3.389100     -0.3410000      0.1862000    
 C  -0.2858000       5.206800      0.3440000    
 C   -4.367800      -1.328300      0.1584000    
 C   -2.650100      -2.950600     -0.1147000    
 C   -3.999600      -2.660400      5.2999998E-03
 H    3.351300     -0.6139000      -2.027300    
 H    2.825700      -2.247500      -1.603600    
 H    2.562400      0.7578000       1.356000    
 H    3.156200       1.204400     -0.2476000    
 H    1.143500      0.2572000      -1.326400    
 H   0.7060000      -1.411600      -1.010900    
 H    4.656900      -2.529700     -2.4800001E-02
 H    5.298400      -2.048900      -1.594500    
 H    4.977200       1.002300       1.391400    
 H    4.455900     -0.6194000       1.845300    
 H    6.362900     -0.8134000      0.3274000    
 H    5.601100      0.2576000     -0.8488000    
 H   0.6079000      0.8357000       1.082600    
 H  -0.7777000     -0.9352000       2.364100    
 H   0.9668000      -1.035000       2.368100    
 H   9.6400000E-02  -2.141000       1.363400    
 H  -0.8050000       2.686600       1.317600    
 H   0.4158000       2.578900      1.8700000E-02
 H  -0.8807000       4.111200      -1.405500    
 H   -2.131100       4.239800     -0.1712000    
 H   -3.691500      0.6845000      0.3543000    
 H  -0.5934000       6.172900     -6.8300001E-02
 H  -0.4709000       5.223400       1.422800    
 H   0.7910000       5.095300      0.1815000    
 H   -5.414900      -1.061900      0.2671000    
 H   -2.310500      -3.974200     -0.2348000    
 H   -4.745200      -3.446900     -1.6200000E-02


%chk=000041025-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041025

0 1
O -2.724343 1.995240 -0.358633
N 2.444595 -0.590604 -0.018556
N -1.267880 0.287298 0.334395
N -1.729275 -1.893161 -0.509000
C 3.210643 -1.601810 -0.791450
C 3.133006 0.724471 -0.017642
C 1.021612 -0.507004 -0.418843
C 4.625648 -1.788607 -0.206962
C 4.548460 0.616733 0.586545
C 5.385073 -0.442173 -0.167396
C 0.112007 -0.118891 0.786046
C 0.087090 -1.208430 1.874778
C -1.590108 1.645005 0.086895
C -2.227648 -0.740159 0.027512
C -0.507925 2.699614 0.374123
C -0.963143 4.120638 -0.018400
C -3.615349 -0.564805 0.284151
C 0.126493 5.172006 0.279097
C -4.497804 -1.613926 -0.040006
C -2.597800 -2.901287 -0.804475
C -3.990269 -2.810383 -0.600116
H 3.300023 -1.305745 -1.870708
H 2.655217 -2.556749 -0.756862
H 2.532747 1.445299 0.569385
H 3.207859 1.133595 -1.061688
H 0.860538 0.231106 -1.244832
H 0.679582 -1.485515 -0.792533
H 4.534800 -2.191888 0.820466
H 5.179373 -2.531801 -0.812671
H 5.042565 1.606792 0.546155
H 4.459499 0.328013 1.651785
H 6.374566 -0.567850 0.311588
H 5.569773 -0.093660 -1.204969
H 0.546147 0.778946 1.255647
H -0.494146 -0.878559 2.754943
H 1.129969 -1.395080 2.183398
H -0.338392 -2.152037 1.498686
H -0.249886 2.682767 1.453545
H 0.423113 2.445801 -0.171239
H -1.227311 4.133140 -1.091645
H -1.894899 4.366444 0.522198
H -3.981732 0.367288 0.713108
H -0.211553 6.184225 -0.007877
H 0.380304 5.196181 1.356323
H 1.057430 4.958109 -0.280410
H -5.570287 -1.498170 0.148942
H -2.146910 -3.807047 -1.226503
H -4.646774 -3.644273 -0.865893


