%chk=000171322.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171322

0 1
 O   0.1786000      0.7446000       1.234100    
 O    2.469800       2.100900       2.035500    
 O   -4.167900      -2.295600     -0.2690000    
 N    3.012200     -0.8690000     -0.1082000    
 C    2.524200      0.7011000       1.745600    
 C    2.965200      0.5313000      0.2899000    
 C    3.379400     -0.9994000      -1.511800    
 C    1.155500      9.0400003E-02   2.038000    
 C    3.467400      -2.477500      -1.878500    
 C    2.365700     -0.2753000      -2.393300    
 C  -0.9023000     -2.7999999E-03  0.8496000    
 C   -1.551300      0.2601000     -0.3529000    
 C   -1.088300       1.359000      -1.251300    
 C   -1.342000      -1.030000       1.679100    
 C   -2.650400     -0.5118000     -0.7296000    
 C   -3.095200      -1.542800      9.8099999E-02
 C   -2.441100      -1.801900       1.302300    
 C   -1.751200       2.678900     -0.9560000    
 C   -2.528300       3.339800      -1.821500    
 H    3.265400      0.2530000       2.418000    
 H    2.273800       1.121600     -0.3187000    
 H    3.951900      0.9958000      0.1631000    
 H    4.371100     -0.5602000      -1.680000    
 H    3.679900      -1.370400      0.4769000    
 H   0.8980000      0.2681000       3.089000    
 H    1.205300     -0.9898000       1.855000    
 H    2.503500      -2.981900      -1.745300    
 H    3.768800      -2.600600      -2.924400    
 H    4.208600      -2.994400      -1.258700    
 H    2.471200      0.8131000      -2.353200    
 H    1.335600     -0.5425000      -2.131800    
 H    2.512000     -0.5527000      -3.443900    
 H    3.359300       2.465200       1.887800    
 H  -3.1999999E-03   1.491200      -1.170800    
 H   -1.255000       1.069000      -2.297500    
 H  -0.8856000      -1.245100       2.640500    
 H   -3.166700     -0.3155000      -1.666200    
 H   -2.782900      -2.597400       1.959100    
 H   -1.567100       3.123500      1.9099999E-02
 H   -4.336200      -2.961500      0.4197000    
 H   -2.969100       4.292100      -1.547700    
 H   -2.738400       2.946100      -2.809600    


%chk=000171322-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171322

0 1
O 0.176543 0.292133 0.475504
O 1.873016 2.160280 1.863123
O -5.032928 -1.787320 -0.008256
N 3.603371 -0.558442 -0.127194
C 2.308453 0.798211 1.509354
C 3.007092 0.765380 0.128544
C 3.683210 -1.000851 -1.548500
C 1.070011 -0.091795 1.573475
C 4.710573 -2.146345 -1.653335
C 2.295150 -1.457627 -2.049657
C -1.106202 -0.284541 0.435128
C -1.980519 0.253153 -0.557287
C -1.509993 1.391850 -1.456964
C -1.534753 -1.327023 1.285935
C -3.278873 -0.279438 -0.668571
C -3.713179 -1.322728 0.182719
C -2.844146 -1.848773 1.161132
C -1.335810 2.702490 -0.700213
C -1.980067 3.854640 -1.010426
H 3.021351 0.419032 2.277994
H 2.250782 0.982333 -0.643325
H 3.757517 1.596383 0.093128
H 4.032343 -0.163400 -2.202884
H 4.501939 -0.679978 0.357376
H 0.558746 0.055903 2.545305
H 1.384306 -1.147936 1.458191
H 4.417056 -2.981186 -0.990029
H 4.762752 -2.528115 -2.687912
H 5.725208 -1.809971 -1.364170
H 1.527388 -0.679902 -1.888967
H 1.975496 -2.360312 -1.498239
H 2.329251 -1.691579 -3.130081
H 2.602787 2.796656 1.651336
H -0.531436 1.113115 -1.899843
H -2.224681 1.531596 -2.288305
H -0.866130 -1.746011 2.043127
H -3.976320 0.114470 -1.414541
H -3.173054 -2.658181 1.825667
H -0.631730 2.667564 0.142870
H -5.245081 -2.504552 0.638743
H -1.818271 4.773240 -0.434458
H -2.690968 3.914279 -1.844993


