%chk=000087501.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087501

0 1
 O   -1.958200      -1.211600      0.1667000    
 O   -3.920500      -1.926600     -0.8015000    
 N   -6.009700     -0.3739000      0.1186000    
 C    3.271600     -0.6057000     -0.2740000    
 C    4.703900     -0.5961000      0.2678000    
 C    2.350600      -1.584000      0.4583000    
 C    5.605800      0.4347000     -0.4146000    
 C   0.9427000      -1.574800     -0.1428000    
 C    7.001200      0.4515000      0.2138000    
 C   1.1600000E-02  -2.531200      0.6081000    
 C    7.893100       1.506700     -0.4401000    
 C   -1.405400      -2.514400      4.7699999E-02
 C    9.269500       1.549300      0.2042000    
 C   -3.228900      -1.054700     -0.2987000    
 C   -3.687700      0.3458000     -0.1185000    
 C   -5.034800      0.6480000      8.1500001E-02
 C   -2.740900       1.369600     -0.1522000    
 C   -5.434900       1.974000      0.2478000    
 C   -3.141100       2.695600      1.4000000E-02
 C   -4.488000       2.997700      0.2139000    
 H    3.296800     -0.8581000      -1.341400    
 H    2.853100      0.4057000     -0.1980000    
 H    4.672800     -0.3890000       1.344900    
 H    5.140100      -1.595800      0.1507000    
 H    2.302100      -1.314000       1.520100    
 H    2.769300      -2.595900      0.3998000    
 H    5.682000      0.2052000      -1.484200    
 H    5.152600       1.429700     -0.3280000    
 H   0.9901000      -1.863500      -1.199800    
 H   0.5420000     -0.5549000     -0.1040000    
 H    6.917300      0.6588000       1.287800    
 H    7.463600     -0.5377000      0.1108000    
 H  -1.9300001E-02  -2.235700       1.663900    
 H   0.4087000      -3.551600      0.5605000    
 H    7.426500       2.494900     -0.3535000    
 H    8.001400       1.291500      -1.509500    
 H   -2.023400      -3.224000      0.6103000    
 H   -1.393200      -2.814700      -1.006800    
 H    9.777100      0.5841000      0.1089000    
 H    9.197400       1.796300       1.268300    
 H    9.891000       2.309300     -0.2795000    
 H   -1.686000       1.169300     -0.3203000    
 H   -6.481300       2.223700      0.4042000    
 H   -2.404600       3.493300     -1.5600000E-02
 H   -4.799400       4.030200      0.3424000    
 H   -5.747300      -1.344100      1.4500000E-02
 H   -6.981200     -0.1344000      0.2673000    


%chk=000087501-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087501

0 1
O -2.003386 -1.186886 0.397505
O -3.905822 -1.977981 -0.678096
N -5.944943 -0.269865 -1.012309
C 3.338099 -0.575251 -0.252378
C 4.764360 -0.500377 0.337605
C 2.387643 -1.485918 0.557148
C 5.718489 0.401009 -0.478346
C 0.958401 -1.545650 -0.025885
C 7.143320 0.481093 0.114588
C 0.021414 -2.475701 0.776342
C 8.098648 1.379208 -0.704381
C -1.402822 -2.542797 0.224268
C 9.519256 1.454669 -0.103954
C -3.295302 -1.019578 -0.103195
C -3.833630 0.334502 0.107218
C -5.159947 0.661943 -0.364003
C -3.061619 1.330903 0.771837
C -5.648908 1.989412 -0.142329
C -3.558849 2.625755 0.979738
C -4.864472 2.946977 0.514559
H 3.393083 -0.942008 -1.298824
H 2.908700 0.447096 -0.304681
H 4.709942 -0.125408 1.381244
H 5.190534 -1.523923 0.397835
H 2.340537 -1.125117 1.606116
H 2.812592 -2.511173 0.600376
H 5.776338 0.023334 -1.520868
H 5.290594 1.423540 -0.542562
H 1.004738 -1.893363 -1.079294
H 0.523250 -0.527621 -0.050188
H 7.087328 0.862467 1.155890
H 7.571721 -0.541114 0.181684
H -0.016756 -2.150700 1.834608
H 0.430430 -3.507227 0.774306
H 7.669541 2.399918 -0.772100
H 8.154978 0.996952 -1.744229
H -2.032112 -3.270711 0.768470
H -1.425002 -2.801386 -0.850797
H 9.982000 0.450772 -0.054134
H 9.493305 1.862172 0.924490
H 10.181670 2.102457 -0.707402
H -2.062367 1.054643 1.119825
H -6.654253 2.247995 -0.496546
H -2.952579 3.378596 1.492577
H -5.266468 3.954982 0.670227
H -5.558369 -1.211549 -1.150596
H -6.875206 -0.020593 -1.337559


