%chk=000068818.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068818

0 1
 S    1.269600       1.522700       1.144500    
 N    3.310600     -0.2096000      0.8029000    
 N   -2.204100       1.748500     -0.6467000    
 N    1.974200      0.1017000      -1.015600    
 C   -1.060700      0.1177000      0.3584000    
 C  -0.3025000       1.320700      0.4153000    
 C   -2.249000      0.4136000     -0.3131000    
 C    3.939800      -1.081800     -0.1428000    
 C    3.044900     -0.8803000      -1.377700    
 C    2.239300      0.3961000      0.2290000    
 C   -1.031800       2.305200     -0.2105000    
 C  -0.8493000      -1.198500      0.8148000    
 C   -3.240300     -0.5449000     -0.5518000    
 C   -1.832200      -2.167600      0.5831000    
 C   -3.008600      -1.843700     -8.9800000E-02
 H    3.924000      -2.121000      0.1980000    
 H    4.972000     -0.7799000     -0.3422000    
 H    3.624300     -0.4916000      -2.221900    
 H    2.582600      -1.824600      -1.684000    
 H    3.631200     -7.8699999E-02   1.754100    
 H  -0.8264000       3.352100     -0.3877000    
 H   -2.931800       2.244900      -1.142000    
 H   5.8800001E-02  -1.473200       1.343900    
 H   -4.156400     -0.2936000      -1.075600    
 H   -1.674700      -3.184300      0.9333000    
 H   -3.758700      -2.612000     -0.2588000    


%chk=000068818-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068818

0 1
S 1.215160 -0.280020 1.304750
N 3.813221 -0.628064 0.508379
N -1.725452 0.835167 -1.248077
N 2.600822 0.704096 -0.941361
C -1.555637 -0.531333 0.580637
C -0.258444 0.045917 0.288349
C -2.464394 -0.008134 -0.409347
C 4.818206 -0.342518 -0.546319
C 4.000289 0.617419 -1.496386
C 2.599405 -0.035243 0.143920
C -0.389617 0.876671 -0.822557
C -2.047323 -1.428074 1.565586
C -3.832408 -0.357837 -0.432242
C -3.410815 -1.778991 1.544039
C -4.294716 -1.249109 0.557216
H 5.130770 -1.271114 -1.062346
H 5.716092 0.146200 -0.127463
H 4.435680 1.632669 -1.513910
H 3.963899 0.245218 -2.535551
H 3.881522 -1.420724 1.144727
H 0.387885 1.438259 -1.333742
H -2.092066 1.334621 -2.054942
H -1.376742 -1.841938 2.326865
H -4.514784 0.046320 -1.188610
H -3.804833 -2.471109 2.296535
H -5.350920 -1.540449 0.568950


