%chk=000046071.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046071

0 1
 O   0.7088000       1.153400     -0.5777000    
 O    2.171700     -0.7600000      0.7595000    
 O   0.3696000       2.267900       1.434500    
 O    2.432600      -1.933300      -1.230900    
 N   -4.159800     -0.1415000     -0.1090000    
 N    1.463700       3.302400     -0.3304000    
 N    4.277200      -1.155200     -5.8600001E-02
 C   -2.118500      0.9803000     -0.8873000    
 C   -3.525500      0.5056000      -1.264100    
 C   -1.312300     -7.9800002E-02 -0.1830000    
 C   -3.444200      -1.382700      0.2356000    
 C   -1.953400      -1.189500      0.3941000    
 C   7.4500002E-02  6.6600002E-02 -4.9199998E-02
 C   -1.191200      -2.155400       1.064900    
 C   -5.568400     -0.4249000     -0.3818000    
 C   0.8222000     -0.8950000      0.6300000    
 C   0.1904000      -2.005800       1.184400    
 C   0.8105000       2.256700      0.2890000    
 C    2.927600      -1.342200     -0.2757000    
 C    1.720400       4.573000      0.3065000    
 C    5.304200      -1.640800     -0.9506000    
 H   -2.196500       1.850500     -0.2231000    
 H   -1.606800       1.299500      -1.803000    
 H   -4.105600       1.380200      -1.583400    
 H   -3.478100     -0.1822000      -2.119400    
 H   -3.603100      -2.150100     -0.5340000    
 H   -3.847200      -1.763400       1.182400    
 H   -1.671000      -3.029800       1.497300    
 H   -5.698700      -1.094500      -1.239700    
 H   -6.114500      0.5033000     -0.5833000    
 H   -6.043900     -0.8855000      0.4913000    
 H   0.7676000      -2.760600       1.711800    
 H    1.782400       3.170900      -1.285400    
 H    4.564000     -0.6476000      0.7727000    
 H    2.801200       4.732500      0.3256000    
 H    1.324000       4.596500       1.324100    
 H    1.250100       5.356100     -0.2932000    
 H    5.959400      -2.307900     -0.3852000    
 H    5.881000     -0.7831000      -1.305100    
 H    4.874200      -2.175600      -1.800600    


%chk=000046071-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046071

0 1
O 0.827042 0.877766 -0.477650
O 2.143696 -1.219533 0.830511
O 0.201328 2.366756 1.274664
O 2.606856 -1.496951 -1.491697
N -4.213159 -0.103714 -0.081029
N 1.677194 2.971957 -0.460723
N 4.267528 -0.962340 0.091781
C -2.085021 0.968394 -0.730327
C -3.497081 0.565877 -1.190231
C -1.359131 -0.197370 -0.082959
C -3.593024 -1.399081 0.264141
C -2.078021 -1.319436 0.406066
C 0.048975 -0.190028 0.050084
C -1.380702 -2.397812 1.001614
C -5.660648 -0.238072 -0.316327
C 0.738100 -1.273376 0.634373
C 0.023658 -2.385170 1.114799
C 0.843438 2.125463 0.228660
C 2.989131 -1.239563 -0.330567
C 1.924067 4.347580 -0.024028
C 5.409743 -0.979234 -0.823826
H -2.164650 1.790523 0.006060
H -1.497383 1.350699 -1.586744
H -4.066908 1.468671 -1.476438
H -3.432253 -0.090818 -2.097356
H -3.831095 -2.181382 -0.509511
H -4.034124 -1.755690 1.215204
H -1.942509 -3.260585 1.378801
H -5.910188 -0.893936 -1.190309
H -6.102436 0.757807 -0.496844
H -6.145448 -0.668669 0.578887
H 0.572515 -3.213464 1.571909
H 2.126457 2.601008 -1.298650
H 4.398545 -0.768972 1.084853
H 2.994911 4.513266 0.196384
H 1.345022 4.521131 0.896906
H 1.598908 5.077046 -0.788848
H 6.144206 -1.755708 -0.539574
H 5.919143 0.002018 -0.848538
H 5.031916 -1.206058 -1.833517


