%chk=000108553.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108553

0 1
 O  -3.5000001E-03   3.051900      0.2066000    
 N    7.438500      -1.046400     -5.2299999E-02
 N   -7.437100      -1.058100     -0.1020000    
 C    6.195600     -0.3809000     -8.1000002E-03
 C   -6.195600     -0.3906000     -4.8500001E-02
 C    8.676100     -0.2929000     -1.5900001E-02
 C    7.494100      -2.491400     -0.1486000    
 C   -8.639800     -0.3417000     -0.4773000    
 C   -7.528300      -2.465600      0.2312000    
 C    5.009900      -1.114000     -5.7000000E-02
 C   -5.045800      -1.085400      0.3269000    
 C    6.152400       1.010200      8.5000001E-02
 C   -6.117900      0.9642000     -0.3712000    
 C    8.997500      0.2502000      -1.395000    
 C    7.289100      -3.114300       1.218900    
 C   -9.183400      0.4257000      0.7125000    
 C   -7.102300      -3.311400     -0.9534000    
 C    3.737600      0.9352000      8.0100000E-02
 C   -3.740300      0.9295000      5.6600001E-02
 C    3.781000     -0.4559000     -1.3000000E-02
 C   -3.818100     -0.4253000      0.3794000    
 C    4.923300       1.668200      0.1290000    
 C   -4.890300       1.624300     -0.3186000    
 C    2.456100       1.621500      0.1263000    
 C   -2.443300       1.626900      0.1118000    
 C    1.246200       1.019200      8.6400002E-02
 C   -1.249200       1.017300      7.8699999E-02
 C  -2.3000001E-03   1.829500      0.1315000    
 H    8.670100      0.4970000      0.7434000    
 H    9.500400     -0.9512000      0.2886000    
 H    6.794800      -2.893800     -0.8900000    
 H    8.481700      -2.800200     -0.5156000    
 H   -8.493900      0.3055000      -1.349300    
 H   -9.409400      -1.055700     -0.7994000    
 H   -6.971200      -2.723200       1.138900    
 H   -8.568300      -2.722100      0.4726000    
 H    4.974500      -2.195000     -0.1329000    
 H   -5.039200      -2.135400      0.5972000    
 H    7.035200       1.637900      0.1294000    
 H   -6.971400       1.560800     -0.6729000    
 H    9.085000     -0.5631000      -2.124000    
 H    8.238200      0.9429000      -1.767900    
 H    9.953200      0.7839000      -1.374400    
 H    8.052300      -2.766400       1.923900    
 H    6.313200      -2.880800       1.653200    
 H    7.370400      -4.204100       1.150400    
 H   -9.404900     -0.2512000       1.545300    
 H   -8.488900       1.184200       1.083800    
 H   -10.11420      0.9327000      0.4381000    
 H   -7.729200      -3.101700      -1.827300    
 H   -6.063400      -3.141100      -1.248700    
 H   -7.209800      -4.374100     -0.7131000    
 H    2.893900      -1.078700     -5.5599999E-02
 H   -2.953600      -1.000600      0.6975000    
 H    4.909700       2.753100      0.2022000    
 H   -4.847100       2.680200     -0.5750000    
 H    2.506700       2.706100      0.1946000    
 H   -2.503900       2.711100      0.1714000    
 H    1.121100     -5.3900000E-02  1.8500000E-02
 H   -1.140800     -5.7399999E-02 -6.5000001E-03


%chk=000108553-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108553

0 1
O -0.002462 2.807380 -0.216998
N 7.774736 -0.910353 0.055858
N -7.773334 -0.929882 -0.043687
C 6.486308 -0.369188 0.014021
C -6.486037 -0.384723 -0.066483
C 8.974753 -0.050550 0.112458
C 8.006919 -2.368973 0.042302
C -8.974919 -0.086661 -0.209708
C -8.002618 -2.375700 0.153614
C 5.319181 -1.206311 0.068618
C -5.317461 -1.220001 -0.015034
C 6.266819 1.044553 -0.083950
C -6.269099 1.030787 -0.143757
C 9.479777 0.402969 -1.278102
C 7.971676 -3.016388 1.447070
C -9.490585 0.524634 1.114623
C -7.962845 -3.194380 -1.158695
C 3.806784 0.745571 -0.072008
C -3.808486 0.736821 -0.117476
C 4.030426 -0.661306 0.022743
C -4.029685 -0.671303 -0.036577
C 4.968227 1.572052 -0.120746
C -4.971350 1.560996 -0.171714
C 2.484983 1.359333 -0.117926
C -2.487747 1.353796 -0.146039
C 1.257076 0.741860 -0.088821
C -1.258822 0.739069 -0.103788
C -0.001474 1.524576 -0.142217
H 8.769337 0.828610 0.750619
H 9.772837 -0.620460 0.624697
H 7.268949 -2.854914 -0.622159
H 8.996823 -2.547833 -0.418578
H -8.765186 0.712798 -0.943986
H -9.768116 -0.714190 -0.658615
H -7.264432 -2.772263 0.874873
H -8.992905 -2.496933 0.632134
H 5.423301 -2.291107 0.162621
H -5.420102 -2.308115 0.026894
H 7.112999 1.734209 -0.145983
H -7.116611 1.721476 -0.167233
H 9.737260 -0.469241 -1.905894
H 8.709131 0.986611 -1.810565
H 10.383950 1.031511 -1.175608
H 8.739228 -2.569264 2.104491
H 6.989226 -2.870969 1.928937
H 8.168761 -4.102514 1.378308
H -9.757077 -0.268581 1.836550
H -8.721424 1.162633 1.582905
H -10.391248 1.140177 0.932944
H -8.733071 -2.838238 -1.866518
H -6.981096 -3.102856 -1.654759
H -8.152303 -4.264676 -0.954406
H 3.172835 -1.342114 0.071105
H -3.170945 -1.351308 0.001549
H 4.838375 2.658902 -0.198001
H -4.843331 2.649326 -0.228452
H 2.451553 2.457960 -0.183911
H -2.456093 2.452634 -0.209232
H 1.165245 -0.350873 -0.025787
H -1.165213 -0.353479 -0.040123


