%chk=000153666.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153666

0 1
 O    1.479800      7.3000002E-03  -1.196700    
 O    2.635200       2.296000       1.342500    
 O    2.917500      -1.500700      0.5660000    
 O   -4.742000      -2.178800      0.4758000    
 N  -0.8180000     -0.2013000     -0.5848000    
 N    3.226200       1.636500      -1.275700    
 N    1.578900      0.2345000       1.825100    
 N    4.156900     -0.9450000      -1.434500    
 N    4.689300      0.1434000      0.6310000    
 N   -2.732600       1.267100     -0.2795000    
 N   -1.867000      -2.143100     -0.1777000    
 N    3.841500      -2.580300      0.8967000    
 N   -4.772300      0.1306000      0.2816000    
 N   -4.674700       2.474700      5.5799998E-02
 C    2.562800      0.6097000     -0.4546000    
 C    1.884000       1.226100      0.7925000    
 C   0.5768000       1.736700      0.1981000    
 C   0.2649000      0.7300000     -0.9104000    
 C    3.611100     -0.4640000     -0.1591000    
 C   -2.112800      8.4799998E-02 -0.3162000    
 C  -0.7160000      -1.571100     -0.4889000    
 C   -2.743100      -1.100000     -7.0100002E-02
 C   -4.155800      -1.126600      0.2521000    
 C   -4.090600       1.233500      3.0900000E-02
 H   0.7170000       2.733000     -0.2415000    
 H  -0.2181000       1.859400      0.9422000    
 H  -5.1899999E-02   1.240600      -1.827400    
 H    3.909500       2.146000     -0.7185000    
 H    2.543000       2.327600      -1.581000    
 H    1.061300      0.6820000       2.580500    
 H    2.444800     -0.1049000       2.240500    
 H    2.695700       3.004900      0.6808000    
 H    4.558700     -0.1612000      -1.947600    
 H    3.395600      -1.299000      -2.012800    
 H    4.310900      0.6092000       1.453100    
 H    5.164200      0.8581000      8.3499998E-02
 H   0.2115000      -2.102800     -0.6523000    
 H   -2.268500       2.149700     -0.4679000    
 H    3.710000      -2.631300       1.905700    
 H    3.344900      -3.375300      0.4977000    
 H   -4.140700       3.314800     -0.1381000    
 H   -5.659800       2.586800      0.2696000    


%chk=000153666-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153666

0 1
O 1.365871 0.530683 -1.114124
O 2.980483 2.386006 1.604258
O 2.817161 -1.484519 0.452442
O -4.685894 -2.314993 0.781473
N -0.773218 0.106302 -0.120100
N 3.275081 1.988732 -0.966898
N 1.709449 0.397097 2.039711
N 3.762458 -0.922311 -1.647254
N 4.793325 0.011725 0.264301
N -2.968051 1.281045 -0.457774
N -1.590815 -1.928011 0.531599
N 3.796512 -2.628055 0.533330
N -4.901393 -0.119623 -0.037946
N -5.173507 2.103119 -0.742084
C 2.561230 0.862088 -0.313007
C 2.002535 1.408139 1.075419
C 0.684402 2.094809 0.600306
C 0.165823 1.164903 -0.524745
C 3.533244 -0.382883 -0.322663
C -2.160249 0.197850 -0.121914
C -0.480612 -1.221230 0.293079
C -2.666845 -1.048578 0.280487
C -4.122040 -1.261611 0.384308
C -4.362463 1.027438 -0.401420
H 0.905554 3.092505 0.182130
H -0.032053 2.195311 1.430163
H -0.327293 1.735401 -1.337176
H 4.272694 1.778078 -1.112916
H 2.800189 2.292865 -1.823698
H 1.362167 0.732078 2.937818
H 2.296498 -0.439132 2.042384
H 3.305898 2.854006 0.769624
H 4.581925 -0.563412 -2.136753
H 2.917917 -1.044762 -2.210557
H 4.681274 0.592056 1.106748
H 5.384352 -0.814965 0.423206
H 0.546227 -1.563863 0.377404
H -2.605961 2.231567 -0.547875
H 3.362637 -3.220423 1.261715
H 3.730586 -3.088189 -0.394716
H -4.842412 2.889240 -1.296532
H -6.174587 1.931120 -0.675355


