%chk=000173214.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173214

0 1
 O   -2.706900       1.490100      -1.096000    
 N   -3.819700      0.6379000      0.7551000    
 N   -6.574600      -2.480300     -0.5010000    
 C    2.382600      0.3984000     -0.2608000    
 C    3.620700     -0.2382000      0.3767000    
 C    1.101700      0.1786000      0.5518000    
 C    4.913700      4.1299999E-02 -0.3968000    
 C  -0.1516000      0.7492000     -0.1206000    
 C    6.163700     -0.5303000      0.2761000    
 C   -1.422700      0.4493000      0.6744000    
 C    7.419400     -0.2300000     -0.5441000    
 C   -2.695100      0.9320000     -2.2000000E-03
 C    8.670300     -0.7610000      0.1377000    
 C   -5.159000      0.9661000      0.3250000    
 C   -5.804500     -0.1529000     -0.4873000    
 C   -5.937800      -1.450100      0.3121000    
 H    2.548100       1.476200     -0.3794000    
 H    2.248300     -1.4300000E-02  -1.268200    
 H    3.729100      0.1407000       1.400500    
 H    3.472700      -1.322200      0.4542000    
 H   0.9635000     -0.8982000      0.7108000    
 H    1.219700      0.6327000       1.543300    
 H    4.821200     -0.3756000      -1.407400    
 H    5.033300       1.125900     -0.5121000    
 H  -0.2454000      0.3270000      -1.128900    
 H  -4.1700002E-02   1.833600     -0.2448000    
 H    6.052100      -1.614400      0.3974000    
 H    6.266100     -0.1009000       1.280000    
 H   -1.515400     -0.6330000      0.8277000    
 H   -1.359800      0.9218000       1.662100    
 H    7.331100     -0.6816000      -1.539000    
 H    7.521600      0.8521000     -0.6866000    
 H   -5.126700       1.883200     -0.2734000    
 H   -5.747100       1.173300       1.225400    
 H    9.555300     -0.5368000     -0.4659000    
 H    8.614500      -1.846400      0.2690000    
 H    8.805500     -0.3021000       1.122300    
 H   -3.709200      0.1654000       1.647700    
 H   -5.208800     -0.3369000      -1.390700    
 H   -6.796000      0.1804000     -0.8185000    
 H   -4.955500      -1.811400      0.6341000    
 H   -6.541800      -1.278200       1.209300    
 H   -6.004000      -2.669500      -1.324100    
 H   -6.612700      -3.351500      2.6600000E-02


%chk=000173214-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173214

0 1
O -2.617515 0.473682 -1.830658
N -3.682562 0.361609 0.236425
N -7.613020 -1.777117 0.673771
C 2.519100 0.334859 -0.226200
C 3.806093 -0.401295 0.209368
C 1.224010 -0.420562 0.148823
C 5.099879 0.359315 -0.159728
C -0.053157 0.303782 -0.328513
C 6.388832 -0.382844 0.259959
C -1.349472 -0.442984 0.065843
C 7.682270 0.378853 -0.109986
C -2.589072 0.169179 -0.597942
C 8.965182 -0.370839 0.310224
C -4.966528 0.894864 -0.255061
C -6.068222 -0.177260 -0.416467
C -6.549351 -0.784197 0.917534
H 2.500512 1.345206 0.233387
H 2.542019 0.494374 -1.324289
H 3.780384 -0.569295 1.306732
H 3.827551 -1.408014 -0.258257
H 1.253232 -1.438416 -0.294342
H 1.188549 -0.561362 1.250010
H 5.119899 0.535908 -1.255671
H 5.083353 1.362578 0.315525
H -0.042621 0.411126 -1.429388
H -0.078304 1.331088 0.087923
H 6.406906 -1.385463 -0.216647
H 6.370957 -0.560792 1.355900
H -1.272895 -1.493046 -0.282879
H -1.458625 -0.475654 1.168438
H 7.698497 0.557300 -1.204696
H 7.664030 1.380099 0.367156
H -4.749316 1.353949 -1.234971
H -5.312512 1.693435 0.431122
H 9.874935 0.193189 0.033116
H 9.021052 -1.362990 -0.176444
H 8.988390 -0.533535 1.404524
H -3.602951 0.090056 1.217167
H -5.686943 -0.978473 -1.080806
H -6.941908 0.275048 -0.923063
H -5.667001 -1.197823 1.471001
H -6.972129 0.024083 1.547089
H -7.331536 -2.540181 0.049907
H -8.081790 -2.122038 1.516564


