%chk=000148100.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148100

0 1
 S    3.062500      -3.495400      0.4413000    
 S   -1.053700       2.625900     -4.0300000E-02
 O    4.429800      0.9118000     -0.2054000    
 O   -5.584300       2.602300      0.3919000    
 O   -1.195800      -1.964700      0.5669000    
 N   -5.336700      0.3297000      0.6913000    
 N    4.651800      -1.414700      7.3399998E-02
 N   -7.530800      -1.749200      -2.432600    
 N    9.207800       2.664100     -0.6900000    
 N   -2.601900      0.5990000      0.3805000    
 N  -0.2192000      0.1267000      0.1983000    
 N    2.247100      -1.055800      0.1845000    
 C   -7.427100     -0.2538000     -0.4926000    
 C    7.173400       1.320900     -0.4367000    
 C   -6.747700      5.3300001E-02  0.8389000    
 C    6.619700     -8.7099999E-02 -0.2231000    
 C   -6.837400      -1.488700      -1.175900    
 C    8.699600       1.311400     -0.4949000    
 C    5.100100     -0.1114000     -0.1200000    
 C   -4.820600       1.617700      0.4710000    
 C   -3.397600       1.726000      0.3149000    
 C    3.320100      -1.814600      0.2104000    
 C    1.132500      -1.852800      0.3593000    
 C   -1.348000      0.9535000      0.2070000    
 C   -2.738600       2.917100      9.3000002E-02
 C  -0.1792000      -1.269700      0.3739000    
 C    1.374500      -3.201600      0.5150000    
 H   -7.333700      0.6146000      -1.157500    
 H   -8.498500     -0.4073000     -0.3132000    
 H    6.837000       1.975500      0.3778000    
 H    6.764300       1.738000      -1.366000    
 H   -6.840500     -0.7991000       1.520300    
 H   -7.233700      0.9138000       1.311200    
 H    7.030400     -0.5127000      0.7006000    
 H    6.918400     -0.7351000      -1.056000    
 H   -6.937900      -2.362900     -0.5239000    
 H   -5.771600      -1.346800      -1.383400    
 H    9.109900      0.9075000      0.4367000    
 H    9.043400      0.6726000      -1.315900    
 H   -4.691900     -0.4541000      0.7403000    
 H    5.331700      -2.169100      0.1247000    
 H   -7.417500     -0.9529000      -3.058700    
 H   -7.096500      -2.544000      -2.899600    
 H    10.22260       2.634200     -0.7787000    
 H    8.855100       3.040000      -1.569300    
 H   -3.143700       3.915500      3.8999999E-03
 H   0.6596000      0.6178000      5.1800001E-02
 H   0.6715000      -4.009300      0.6645000    


%chk=000148100-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000148100

0 1
S 3.031435 -3.803240 0.484477
S -0.698815 2.661819 -0.511652
O 4.173415 0.727121 -0.603691
O -5.379690 2.945262 0.045045
O -1.362248 -2.021706 0.545682
N -5.140832 0.658669 0.534168
N 4.598604 -1.546095 -0.153109
N -7.562777 -2.174681 -1.941807
N 8.998308 2.716153 0.208283
N -2.444174 0.729717 0.144420
N -0.146208 -0.040434 0.016325
N 2.191735 -1.297481 0.035995
C -7.298965 -0.225087 -0.437180
C 7.058819 1.201112 -0.032417
C -6.568797 0.405780 0.772380
C 6.495915 -0.064344 -0.722792
C -6.802540 -1.641356 -0.790793
C 8.495942 1.522881 -0.492371
C 4.990831 -0.216567 -0.491098
C -4.661240 1.903530 0.182649
C -3.176111 1.919650 -0.021240
C 3.301809 -1.996814 0.073700
C 1.055603 -2.078343 0.315139
C -1.156971 0.904882 -0.062342
C -2.443577 3.041750 -0.365161
C -0.285248 -1.413630 0.312438
C 1.283745 -3.416898 0.576817
H -7.177899 0.446411 -1.310721
H -8.382311 -0.279704 -0.217342
H 7.056499 1.080992 1.066371
H 6.388761 2.050234 -0.267758
H -6.668467 -0.250648 1.658890
H -7.030245 1.380260 1.010114
H 7.053696 -0.963927 -0.395631
H 6.648313 0.028094 -1.818308
H -6.978448 -2.310953 0.074465
H -5.697811 -1.609438 -0.957883
H 9.161935 0.674256 -0.240119
H 8.497525 1.610307 -1.608939
H -4.448753 -0.096028 0.601432
H 5.349178 -2.234571 -0.071074
H -7.491631 -1.587370 -2.780129
H -7.368709 -3.158573 -2.154444
H 10.006351 2.874002 0.131067
H 8.455848 3.567401 0.033622
H -2.822967 4.046610 -0.533403
H 0.832022 0.248085 -0.147623
H 0.547844 -4.180990 0.815148


