%chk=000151003.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151003

0 1
 O   0.6357000     -0.3504000       1.820600    
 O    2.849500       2.740000       1.195000    
 O    1.611200       2.126300     -0.6176000    
 N    2.074600     -0.4869000      1.2900000E-02
 N   0.3046000      -3.100400       1.210100    
 N   -3.456500      0.3319000      5.7500001E-02
 N   -5.328500       1.114000       1.178300    
 N   -5.540400      0.7502000      -1.061700    
 C    3.029200      0.5077000      0.4845000    
 C    4.261300      0.3072000     -0.3903000    
 C    3.684400     -0.2280000      -1.698500    
 C    2.520100      -1.092600      -1.239300    
 C   0.9822000     -0.8867000      0.7668000    
 C   0.1984000      -2.048000      0.2095000    
 C   -1.262100      -1.661400     -1.5100000E-02
 C    2.406900       1.854600      0.2691000    
 C   -1.407900     -0.4897000     -0.9965000    
 C   -2.864000     -9.0599999E-02  -1.212600    
 C   -4.698700      0.7029000      2.7300000E-02
 H    3.225200      0.3525000       1.550700    
 H    4.912800     -0.4540000      5.5799998E-02
 H    4.848900       1.218100     -0.5392000    
 H    3.318100      0.6032000      -2.312700    
 H    4.415500     -0.7872000      -2.289000    
 H    1.712700      -1.108000      -1.976800    
 H    2.848300      -2.116100      -1.027500    
 H   0.6001000      -2.443300     -0.7226000    
 H   -1.817500      -2.526600     -0.3998000    
 H   -1.726900      -1.392000      0.9423000    
 H  -0.9649000     -0.7637000      -1.961300    
 H  -0.8609000      0.3847000     -0.6259000    
 H  -0.2071000      -3.924000      0.8945000    
 H  -0.1510000      -2.809400       2.075000    
 H   -2.894800      0.7303000      -1.939000    
 H   -3.412300     -0.9448000      -1.628200    
 H    2.454300       3.629000       1.070100    
 H   -4.837200       1.134000       2.065400    
 H   -6.299300       1.407100       1.176100    
 H   -6.501600       1.060000     -0.9659000    
 H   -5.238200      0.4815000      -1.991200    


%chk=000151003-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151003

0 1
O 0.981873 -0.681805 2.053474
O 2.823791 2.687914 1.424668
O 1.266689 2.150101 -0.214297
N 2.075181 -0.614498 0.021822
N 0.246366 -3.316035 1.407213
N -3.361921 0.335932 -0.080627
N -5.107813 1.385685 1.061644
N -5.437173 0.858568 -1.217668
C 2.956401 0.464269 0.508467
C 4.121414 0.463700 -0.523515
C 3.424920 0.030788 -1.838543
C 2.384547 -1.021225 -1.377149
C 1.114110 -1.131966 0.867185
C 0.205510 -2.265449 0.360327
C -1.229114 -1.715275 0.082499
C 2.224159 1.812199 0.512593
C -1.329937 -0.671592 -1.050364
C -2.792169 -0.244416 -1.309704
C -4.577333 0.829518 -0.105862
H 3.288668 0.262898 1.539295
H 4.869698 -0.286497 -0.210654
H 4.623487 1.442319 -0.594490
H 2.906581 0.892748 -2.293647
H 4.130250 -0.382179 -2.578709
H 1.478620 -1.002990 -2.005586
H 2.806551 -2.045279 -1.394969
H 0.611894 -2.692904 -0.576304
H -1.872704 -2.587280 -0.165445
H -1.628644 -1.266964 1.010271
H -0.913524 -1.086331 -1.994270
H -0.744090 0.230418 -0.789514
H -0.472329 -4.036350 1.269955
H 0.189393 -2.892502 2.343520
H -2.798423 0.481855 -2.159976
H -3.368308 -1.142856 -1.646985
H 2.340788 3.558384 1.411204
H -4.497801 1.392617 1.873840
H -6.033631 1.796622 1.114120
H -6.366507 1.268268 -1.184447
H -5.115271 0.470991 -2.098571


