%chk=000064487.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064487

0 1
 S   -2.083700      -3.873800     -0.4922000    
 N  -0.7919000      0.8757000      0.2177000    
 N    1.074700     -0.5831000     -6.5899998E-02
 N   -1.102200      -1.441200     -5.0799999E-02
 N   0.4077000      -3.187500     -0.5620000    
 N    4.249700       2.040700     -0.8732000    
 C   -2.249100       1.005400      0.2720000    
 C   -4.336300      0.2765000       1.475900    
 C   -4.146400       2.630200      0.5835000    
 C   -4.391600      0.6911000      -1.012900    
 C   -2.805100      0.1347000       1.412200    
 C   -2.616100       2.478400      0.5236000    
 C   -2.860100      0.5481000      -1.064100    
 C   -4.697200       1.752600       1.721900    
 C   -4.941600     -0.1747000      0.1347000    
 C   -4.752900       2.164300     -0.7521000    
 C  -0.2900000     -0.3062000      1.0600000E-02
 C    2.160300      0.2875000     -0.3182000    
 C  -0.8064000      -2.743200     -0.3587000    
 C    3.376300      0.1697000      0.3694000    
 C    1.994900       1.277800      -1.276600    
 C    4.408000       1.079400      5.6299999E-02
 C    3.061200       2.121100      -1.514200    
 C    3.576200     -0.8216000       1.345100    
 C  -0.9272000      -5.086000     -0.8589000    
 C   0.3377000      -4.536600     -0.8496000    
 C    5.615000      0.9612000      0.7398000    
 C    2.928400       3.200300      -2.536400    
 C    4.793600     -0.9169000       2.013200    
 C    5.814000     -2.4200000E-02   1.709900    
 H   -4.735200     -0.3368000       2.291900    
 H   -4.408200       3.678700      0.7638000    
 H   -4.828100      0.3702000      -1.965400    
 H   -2.394800      0.5373000       2.352500    
 H   -2.585400     -0.9238000       1.523500    
 H   -2.206300       3.115800     -0.2707000    
 H   -2.167000       2.830100       1.461500    
 H   -2.636500     -0.4437000      -1.452900    
 H   -2.479100       1.210500      -1.856500    
 H   -5.786500       1.865000       1.786200    
 H   -4.286300       2.084900       2.683100    
 H   -4.702700      -1.229900     -4.6200000E-02
 H   -6.034900     -9.6400000E-02  0.1720000    
 H   -5.843200       2.283200     -0.7292000    
 H   -4.381800       2.792400      -1.571200    
 H    1.361600      -1.540400      0.1104000    
 H   -2.101000      -1.342400     -3.4400001E-02
 H    1.070400       1.386600      -1.834600    
 H    2.800000      -1.531800       1.616700    
 H   -1.217200      -6.108000      -1.056300    
 H    1.250900      -5.081000      -1.048300    
 H    6.430200       1.648400      0.5206000    
 H    2.722200       2.768800      -3.521000    
 H    2.115300       3.881900      -2.266900    
 H    3.849800       3.787200      -2.611300    
 H    4.944100      -1.682600       2.768100    
 H    6.767000     -9.0899996E-02   2.226800    


%chk=000064487-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064487

0 1
S -1.594617 -4.556717 0.365984
N -0.966561 0.613032 -0.058537
N 1.040594 -0.667531 0.047984
N -1.025243 -1.814587 0.146171
N 0.810275 -3.382785 0.259145
N 4.113760 2.324290 -0.121275
C -2.430110 0.861420 -0.063192
C -4.620738 0.863476 1.260092
C -4.072645 2.833263 -0.231642
C -4.675365 0.603005 -1.265291
C -3.121473 0.452773 1.279904
C -2.583691 2.406354 -0.219474
C -3.176273 0.191951 -1.266005
C -4.740443 2.402684 1.101601
C -5.332355 0.161516 0.071146
C -4.794874 2.142831 -1.419027
C -0.349265 -0.528426 0.036790
C 2.022471 0.338855 -0.014371
C -0.487291 -3.081377 0.243034
C 3.417807 -0.077603 0.001804
C 1.739497 1.711587 -0.086969
C 4.418682 0.967507 -0.053939
C 2.806817 2.666182 -0.136862
C 3.852744 -1.440999 0.067484
C -0.091747 -5.559978 0.437218
C 1.029828 -4.761751 0.367697
C 5.804618 0.609426 -0.040361
C 2.480220 4.144660 -0.211158
C 5.214928 -1.760552 0.078027
C 6.200599 -0.728638 0.024220
H -5.091453 0.549068 2.212603
H -4.136929 3.933190 -0.343845
H -5.184748 0.103415 -2.113079
H -2.591999 0.950280 2.115398
H -3.050202 -0.639365 1.466042
H -2.078322 2.711777 -1.156019
H -2.041115 2.893172 0.613851
H -3.112616 -0.916028 -1.232636
H -2.685152 0.506924 -2.207111
H -5.807502 2.702296 1.109859
H -4.249977 2.911876 1.954978
H -5.266696 -0.940726 0.183820
H -6.409132 0.422219 0.067059
H -5.862808 2.438357 -1.442245
H -4.343233 2.464282 -2.378586
H 1.363927 -1.652650 0.119610
H -2.041783 -1.741868 0.134567
H 0.699151 2.036311 -0.104848
H 3.125788 -2.260270 0.109716
H -0.165678 -6.640823 0.523024
H 2.055282 -5.130680 0.391879
H 6.529057 1.428659 -0.083156
H 1.877209 4.374466 -1.109942
H 1.889771 4.466461 0.667558
H 3.413136 4.728024 -0.247536
H 5.528373 -2.809468 0.127484
H 7.264698 -0.989768 0.033560


