%chk=000109018.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109018

0 1
 S    4.545500      -3.029000      0.3271000    
 O   -5.136500     -0.4741000     -0.2969000    
 O   -6.948500      0.4022000      -1.403200    
 O    8.571500       2.773200      0.3033000    
 O    6.430800       3.233500      0.1473000    
 N   -2.747000      0.9741000     -0.6741000    
 N   -6.976400      5.0799999E-02  0.8911000    
 N    2.237900      -1.545800     -0.4589000    
 N    3.066600     -0.8119000      0.1291000    
 N    6.198100      -2.998500      0.4289000    
 N    7.372800       2.413300      0.2453000    
 C   -3.662100      0.7398000      -1.766800    
 C   -3.144000       1.904400      0.3836000    
 C   -1.496900      0.3424000     -0.6202000    
 C   -4.425200     -0.5536000      -1.537300    
 C   -9.348100     -0.5864000       1.066400    
 C   -2.690300       3.310200      4.0100001E-02
 C   -8.306000      0.5230000       1.161900    
 C  -0.6304000      0.6002000      0.4421000    
 C   -1.119600     -0.5442000      -1.628800    
 C   -10.76930     -8.2300000E-02   1.327300    
 C   0.6134000     -2.8700000E-02  0.4957000    
 C   0.1243000      -1.173000      -1.575100    
 C   0.9907000     -0.9153000     -0.5128000    
 C   -6.405200      2.8500000E-02 -0.3688000    
 C   -11.79190      -1.196200       1.166200    
 C    5.559100     -0.7497000      0.2815000    
 C    6.642000      -1.734700      0.3958000    
 C    4.318800      -1.337800      0.2321000    
 C    5.719000      0.6354000      0.2254000    
 C    7.070400       1.022700      0.2917000    
 C    7.984200      -1.295600      0.4585000    
 C    8.152300      0.1031000      0.4026000    
 H   -3.163800      0.7476000      -2.742600    
 H   -4.382100       1.567000      -1.818900    
 H   -2.830700       1.596300       1.385900    
 H   -4.239000       1.927500      0.4513000    
 H   -3.759400      -1.418100      -1.458800    
 H   -5.101400     -0.7620000      -2.374800    
 H   -9.300900      -1.042900      6.9300003E-02
 H   -9.101600      -1.381300       1.781700    
 H   -8.545500       1.326900      0.4568000    
 H   -8.298600      0.9502000       2.170400    
 H   -3.030600       4.014800      0.8056000    
 H   -3.098800       3.635700     -0.9226000    
 H   -1.599900       3.380900     -2.1400001E-02
 H  -0.8520000       1.287100       1.250600    
 H   -1.745700     -0.7847000      -2.480800    
 H   -11.00950      0.7288000      0.6301000    
 H   -10.83630      0.3294000       2.340900    
 H    1.251200      0.1870000       1.349400    
 H   0.4113000      -1.862200      -2.365200    
 H   -6.422300     -0.2939000       1.669100    
 H   -11.59640      -2.012500       1.868800    
 H   -12.79990     -0.8158000       1.359100    
 H   -11.77140      -1.604100      0.1506000    
 H    4.890700       1.327400      0.1409000    
 H    8.824800      -1.973200      0.5432000    
 H    9.180900      0.4610000      0.4499000    


%chk=000109018-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000109018

0 1
S 5.114025 -2.528425 -1.703068
O -5.241299 -0.663560 0.043007
O -7.044457 0.145932 -1.258092
O 8.537711 2.071843 2.894833
O 6.309244 2.530643 2.700472
N -2.809245 0.849745 -1.028389
N -7.096521 0.128260 1.097183
N 2.478431 -1.152591 -1.236803
N 3.430200 -0.541943 -0.525823
N 6.853849 -2.472534 -1.222207
N 7.361992 1.836894 2.404001
C -3.875524 0.243480 -1.849992
C -3.203362 2.006389 -0.184398
C -1.505180 0.376750 -1.065650
C -4.534739 -0.997935 -1.213492
C -9.517499 -0.485761 1.459427
C -2.977345 3.368181 -0.878949
C -8.472797 0.634090 1.246762
C -0.452618 1.030634 -0.323736
C -1.146487 -0.781017 -1.844116
C -10.947977 0.077059 1.623039
C 0.855987 0.557393 -0.351688
C 0.169218 -1.244937 -1.873936
C 1.202113 -0.596071 -1.130408
C -6.535954 -0.101514 -0.132571
C -12.000532 -1.033454 1.828591
C 5.845688 -0.637475 0.009255
C 7.016552 -1.437756 -0.342630
C 4.673430 -1.094386 -0.655304
C 5.960422 0.448078 0.918608
C 7.221707 0.715661 1.456216
C 8.295937 -1.117470 0.240480
C 8.394107 -0.055460 1.127226
H -3.477685 -0.040217 -2.842037
H -4.658141 0.999665 -2.030623
H -2.658823 1.961018 0.774910
H -4.271106 1.882491 0.062968
H -3.787973 -1.747217 -0.908267
H -5.253063 -1.434935 -1.931182
H -9.483778 -1.175082 0.593429
H -9.250090 -1.081290 2.356425
H -8.713752 1.199337 0.329384
H -8.496046 1.342363 2.097137
H -3.305243 4.190978 -0.218018
H -3.556872 3.432797 -1.817138
H -1.912815 3.525190 -1.124945
H -0.672367 1.923854 0.266335
H -1.902415 -1.320635 -2.419687
H -11.210170 0.674781 0.726693
H -10.973973 0.775850 2.484348
H 1.646158 1.062033 0.212432
H 0.440136 -2.125426 -2.465684
H -6.580092 -0.195408 1.916626
H -11.780832 -1.626392 2.736241
H -13.015496 -0.610544 1.938846
H -12.015284 -1.728584 0.968562
H 5.095482 1.056110 1.193161
H 9.164544 -1.723294 -0.031042
H 9.343720 0.220717 1.591883


