%chk=000149019.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149019

0 1
 O    2.894500      -2.936900       1.241300    
 O    2.586800      -3.037900     -0.9299000    
 N   0.8423000     -0.9620000      0.3337000    
 N   -2.724400      -1.717200      6.0699999E-02
 N    3.234000       2.442900     -0.1666000    
 N    3.022500      -2.459900      9.1300003E-02
 C    1.679500      0.1735000      0.1602000    
 C   0.2209000      -1.629600     -0.7602000    
 C  -0.5501000      -2.857500     -0.2768000    
 C    3.059300      4.7100000E-02 -3.0200001E-02
 C    1.077800       1.435700      0.1870000    
 C   -1.702500      -2.549100      0.6842000    
 C    3.808600       1.224800     -0.1916000    
 C    1.904700       2.559000      1.7200001E-02
 C    3.690300      -1.208700     -6.1600000E-02
 C  -0.3063000       1.592100      0.3768000    
 C   -3.837400      -1.491000      0.9720000    
 C    5.182800       1.105500     -0.3813000    
 C    1.311500       3.818400      4.2900000E-02
 C    5.065700      -1.300700     -0.2527000    
 C    5.813200     -0.1408000     -0.4130000    
 C  -0.8746000       2.862300      0.3986000    
 C   -4.902800     -0.6261000      0.3525000    
 C  -6.3600004E-02   3.977600      0.2313000    
 C   -4.844500      0.7604000      0.4930000    
 C   -5.947700      -1.211200     -0.3630000    
 C   -5.831000       1.561900     -8.1400000E-02
 C   -6.934100     -0.4097000     -0.9375000    
 C   -6.875700      0.9770000     -0.7968000    
 H   0.8904000      -1.867200      -1.587400    
 H  -0.4990000     -0.9424000      -1.223600    
 H  -0.9466000      -3.387300      -1.152600    
 H   0.1341000      -3.555000      0.2209000    
 H    1.021100      -1.490900       1.182100    
 H   -2.142000      -3.503500      0.9999000    
 H   -1.312000      -2.059000       1.583700    
 H   -3.061400      -2.175800     -0.7859000    
 H  -0.9718000      0.7466000      0.5240000    
 H   -3.483400      -1.008900       1.892700    
 H   -4.286300      -2.444800       1.279000    
 H    5.790500       1.999600     -0.5093000    
 H    1.925800       4.707900     -8.5699998E-02
 H    5.571400      -2.262900     -0.2799000    
 H    6.887100     -0.2011000     -0.5629000    
 H   -1.943300       2.980900      0.5479000    
 H  -0.4967000       4.973400      0.2473000    
 H   -4.034600       1.228400       1.046500    
 H   -6.003300      -2.290100     -0.4813000    
 H   -5.785000       2.641500      2.7500000E-02
 H   -7.747400     -0.8650000      -1.495000    
 H   -7.643600       1.601100      -1.244500    


%chk=000149019-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149019

0 1
O 2.361365 -2.788863 1.388643
O 4.333175 -3.493258 0.487119
N 0.974059 -1.396338 -0.446244
N -2.678011 -1.670244 -0.131695
N 2.907909 2.413447 -0.169079
N 3.504613 -2.549911 0.795140
C 1.576150 -0.175736 -0.198397
C 0.061808 -1.749853 -1.555392
C -0.807610 -2.971505 -1.183237
C 2.968941 -0.074246 0.216316
C 0.836624 1.061612 -0.376244
C -1.706135 -2.775218 0.053240
C 3.571858 1.265793 0.169968
C 1.561082 2.319800 -0.405073
C 3.894306 -1.147472 0.536831
C -0.597223 1.104373 -0.468965
C -3.606698 -1.516335 1.025836
C 4.975985 1.445709 0.429883
C 0.851234 3.541640 -0.672789
C 5.267835 -0.937580 0.743659
C 5.816291 0.370754 0.698229
C -1.261352 2.312803 -0.692694
C -4.649253 -0.440754 0.767841
C -0.531594 3.538711 -0.830809
C -4.343865 0.928696 0.973601
C -5.942659 -0.788918 0.303652
C -5.308253 1.928553 0.717347
C -6.909618 0.208795 0.039175
C -6.594069 1.571180 0.246144
H 0.668234 -2.009430 -2.450984
H -0.572618 -0.897623 -1.832929
H -1.428157 -3.228957 -2.065603
H -0.153532 -3.847149 -0.997275
H 1.347427 -2.197754 0.079109
H -2.209561 -3.747173 0.283627
H -1.076383 -2.528235 0.930031
H -3.213248 -1.781182 -1.007418
H -1.195470 0.196556 -0.309564
H -2.991147 -1.251347 1.907099
H -4.119897 -2.479042 1.270081
H 5.340044 2.476319 0.388218
H 1.444285 4.459835 -0.721420
H 5.895823 -1.802311 0.973034
H 6.883105 0.520576 0.887988
H -2.355246 2.320550 -0.750245
H -1.067842 4.473496 -1.028716
H -3.350214 1.206673 1.344569
H -6.196744 -1.846645 0.157189
H -5.062224 2.982216 0.892278
H -7.906046 -0.075504 -0.317387
H -7.343780 2.345896 0.049813


