%chk=000085971.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085971

0 1
 S    1.178900      0.3400000      0.8805000    
 N  -0.5779000       1.733700     -0.5302000    
 N    4.387900      -1.859500     -0.2510000    
 N    1.594400       2.721200     -0.1555000    
 C    2.589000     -0.2148000     -0.1034000    
 C    3.250500      -1.420700      0.5520000    
 C   -1.378200      0.6117000     -0.2933000    
 C   -2.182400      0.5567000      0.8452000    
 C   -1.372000     -0.4528000      -1.194800    
 C   0.6336000       1.746100     -5.5100001E-02
 C   -2.980200     -0.5626000       1.082300    
 C   -2.169800      -1.572100     -0.9576000    
 C   -2.973900      -1.627000      0.1809000    
 H    2.235200     -0.4690000      -1.108900    
 H    3.316800      0.5978000     -0.1984000    
 H    3.609400      -1.167400       1.555900    
 H    2.541200      -2.251000      0.6455000    
 H   -2.196500       1.381700       1.552800    
 H  -0.7502000     -0.4194000      -2.085700    
 H   -3.606500     -0.6053000       1.968500    
 H   -2.165100      -2.400900      -1.659500    
 H   -3.595100      -2.498500      0.3654000    
 H    4.067800      -2.131300      -1.179700    
 H    4.793700      -2.695600      0.1672000    
 H    1.415400       3.581900     -0.6611000    
 H    2.494800       2.629500      0.3014000    


%chk=000085971-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085971

0 1
S 1.641905 1.156089 1.438200
N -0.177160 1.268241 -0.804658
N 3.762356 -2.003808 -0.314427
N 1.621370 2.757698 -0.775811
C 3.079451 0.122612 0.717495
C 2.607074 -1.253058 0.206346
C -1.074396 0.275018 -0.360950
C -1.598498 0.231667 0.963214
C -1.532214 -0.678480 -1.313449
C 0.874972 1.736051 -0.211620
C -2.539281 -0.757351 1.321545
C -2.464495 -1.669517 -0.943300
C -2.973731 -1.716877 0.376945
H 3.551290 0.713521 -0.086117
H 3.798176 0.004113 1.545076
H 2.167117 -1.813236 1.050315
H 1.791788 -1.108697 -0.536413
H -1.278061 0.978948 1.695987
H -1.146186 -0.619653 -2.336519
H -2.937350 -0.775565 2.342750
H -2.801196 -2.400255 -1.687758
H -3.705690 -2.480884 0.661107
H 4.053674 -1.769117 -1.265158
H 3.771191 -3.006128 -0.123228
H 1.314088 3.155286 -1.663728
H 2.354607 3.205784 -0.232442


