%chk=000164483.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164483

0 1
 O  -0.8675000     -0.9667000      -1.118000    
 O   0.4996000       1.488000      -2.066500    
 O    4.971100      -1.972800       1.030500    
 O    5.376300     -0.2999000     -0.3388000    
 N    2.690300      0.4245000     -0.3072000    
 N   0.9863000     -0.5029000      0.7737000    
 N    4.569900     -0.9800000      0.3585000    
 C   -3.479100      -1.589100     -0.1888000    
 C   -2.791400     -0.2438000      9.7300000E-02
 C  -0.9186000       1.204600     -0.1190000    
 C   -1.526900     -2.1500001E-02 -0.3883000    
 C   -4.882600      -1.602300      0.4547000    
 C   -2.637400      -2.739500      0.4049000    
 C   -3.664200      -1.888900      -1.693600    
 C   0.4584000       1.480900     -0.6331000    
 C   -1.594900       2.169500      0.6276000    
 C   -3.487700      0.6824000      0.8354000    
 C   -2.879500       1.908400       1.104700    
 C    1.369300      0.4381000     -2.9999999E-02
 C  -0.9661000       3.490100      0.9296000    
 C    3.215800     -0.6293000      0.3860000    
 C    3.413700       1.335900      -1.165400    
 C    2.145200      -1.185800       1.045500    
 H   -4.848700      -1.508500       1.547000    
 H   -5.550600     -0.8421000      3.1900000E-02
 H   -5.372900      -2.566200      0.2623000    
 H   -2.400600      -2.550900       1.459100    
 H   -3.192800      -3.684500      0.3624000    
 H   -1.694300      -2.916400     -0.1187000    
 H   -4.239800      -2.809900      -1.845000    
 H   -4.206500      -1.073500      -2.186600    
 H   -2.718600      -2.017600      -2.227600    
 H   0.8372000       2.456800     -0.3212000    
 H   -4.482900      0.5635000       1.240800    
 H   -3.419800       2.650000       1.687600    
 H  -5.9400000E-02   3.362200       1.530200    
 H  -0.7342000       4.032700      7.1000000E-03
 H   -1.639900       4.131200       1.509400    
 H  -0.2328000     -0.5405000      -1.716700    
 H  -0.3238000       1.891400      -2.390600    
 H    3.791600      0.7819000      -2.028400    
 H    2.774500       2.144600      -1.518500    
 H    4.220400       1.799500     -0.5913000    
 H    2.142600      -2.044000       1.702700    


%chk=000164483-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000164483

0 1
O -1.143005 -1.038265 -1.373643
O 0.538361 0.872010 -2.209869
O 5.326905 -1.413700 1.551544
O 5.712747 0.148601 -0.082040
N 2.875495 0.542026 -0.314670
N 1.259763 -0.448568 0.959934
N 4.919919 -0.541950 0.685824
C -3.765445 -1.623277 -0.251504
C -2.972168 -0.331418 0.057570
C -0.936831 1.097040 -0.186780
C -1.681514 -0.081707 -0.501535
C -5.127941 -1.654916 0.491446
C -2.941896 -2.865415 0.208763
C -4.056389 -1.719417 -1.780873
C 0.462744 1.268563 -0.747613
C -1.480842 2.080424 0.688445
C -3.477496 0.668026 0.921099
C -2.762535 1.847102 1.228267
C 1.510986 0.434271 -0.049511
C -0.713277 3.335344 1.078327
C 3.505427 -0.334104 0.587219
C 3.502709 1.389365 -1.352072
C 2.490383 -0.931520 1.356096
H -5.001610 -1.625436 1.589872
H -5.786510 -0.818816 0.189302
H -5.650454 -2.596606 0.242443
H -2.761745 -2.831151 1.299213
H -3.503080 -3.791413 -0.020337
H -1.968135 -2.907278 -0.303151
H -4.625447 -2.644090 -1.994701
H -4.662159 -0.857910 -2.119818
H -3.119270 -1.743365 -2.358646
H 0.761792 2.332765 -0.685657
H -4.463254 0.529622 1.372887
H -3.203583 2.585977 1.906469
H 0.227027 3.098277 1.612117
H -0.450781 3.963171 0.203839
H -1.322453 3.959511 1.752943
H -0.350872 -0.645805 -1.850537
H -0.102996 1.441840 -2.710964
H 4.194432 0.788437 -1.959866
H 2.705281 1.782128 -1.997715
H 4.079260 2.204706 -0.886737
H 2.607158 -1.663481 2.150220


