%chk=000150122.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150122

0 1
 S    5.708600     -0.3626000     -0.8580000    
 O    7.010400      0.1109000      -1.290100    
 O    5.532700     -0.9313000      0.4636000    
 N  -0.6003000      0.2959000       1.040100    
 N   -4.311300     -0.4891000     -0.7434000    
 N    1.624900      0.8360000       2.732200    
 N    4.552700      0.8796000      -1.152600    
 C   -1.858700      2.9800000E-02  0.4354000    
 C   -2.662400       1.092600      1.0300000E-02
 C   -2.282600      -1.292700      0.2703000    
 C   0.6881000      0.4439000      0.5101000    
 C   -3.898200      0.7829000     -0.5822000    
 C   -3.533300      -1.509100     -0.3323000    
 C    1.789100      0.7101000       1.334500    
 C    3.247800      0.7336000     -0.5915000    
 C   0.8833000      0.3243000     -0.8717000    
 C   -2.261400       2.431300      0.1635000    
 C   -1.495500      -2.380000      0.6880000    
 C    3.063600      0.8542000      0.7859000    
 C    2.157600      0.4687000      -1.420400    
 C   -4.702700       1.836700      -1.007500    
 C   -3.960900      -2.823600     -0.4993000    
 C   -3.084200       3.466500     -0.2702000    
 C   -1.945900      -3.684600      0.5095000    
 C   -4.307300       3.168100     -0.8568000    
 C   -3.181300      -3.906500     -8.5500002E-02
 C    2.648500      0.4882000       3.666400    
 C    5.178800      -1.573600      -2.048400    
 H  -0.6469000      0.2179000       2.050200    
 H   5.4699998E-02  0.1177000      -1.544300    
 H   -1.313500       2.699800      0.6226000    
 H  -0.5266000      -2.242400       1.161000    
 H    3.920800       1.083900       1.413200    
 H    2.289800      0.3711000      -2.494800    
 H   -5.665900       1.628800      -1.470200    
 H   -4.925300      -3.023500     -0.9629000    
 H   -2.772800       4.499500     -0.1498000    
 H   -1.336700      -4.522700      0.8337000    
 H    4.555100       1.260100      -2.108600    
 H   0.6862000      0.9647000       3.088600    
 H   -4.957200       3.968400      -1.198300    
 H   -3.542400      -4.920700     -0.2293000    
 H    3.047400     -0.5131000       3.472700    
 H    2.235900      0.4869000       4.680600    
 H    3.468500       1.212900       3.653700    
 H    5.188200      -1.123500      -3.042800    
 H    5.883700      -2.407500      -2.014600    
 H    4.180800      -1.927100      -1.784700    


%chk=000150122-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150122

0 1
S 5.960427 0.321219 -0.947063
O 7.163363 0.919406 -1.863542
O 6.174563 -0.027879 0.626009
N -0.473039 -0.301797 0.926587
N -4.472656 -0.442719 -0.663145
N 1.606129 0.175322 2.652812
N 4.468745 1.671516 -1.032461
C -1.763136 -0.326185 0.354362
C -2.400137 0.857966 -0.148025
C -2.492496 -1.563356 0.353896
C 0.714579 0.251124 0.379428
C -3.757243 0.727611 -0.673507
C -3.863659 -1.555167 -0.144637
C 1.811078 0.462370 1.292390
C 3.212063 1.174610 -0.602905
C 0.879500 0.531943 -0.997282
C -1.806108 2.167559 -0.108024
C -1.935184 -2.812658 0.801439
C 3.048080 0.918629 0.787471
C 2.120429 0.969290 -1.496427
C -4.414806 1.894730 -1.201634
C -4.624072 -2.776944 -0.112454
C -2.483014 3.277481 -0.608263
C -2.699602 -3.978180 0.811955
C -3.794617 3.139246 -1.177090
C -4.063230 -3.958067 0.362902
C 2.693639 0.296601 3.631926
C 5.327204 -1.307224 -1.774270
H -0.295962 -1.008553 1.650142
H 0.040979 0.367106 -1.680466
H -0.809689 2.295950 0.322476
H -0.883693 -2.871126 1.107807
H 3.892103 1.119700 1.451024
H 2.243940 1.155393 -2.570079
H -5.422857 1.753306 -1.603049
H -5.652801 -2.728278 -0.482123
H -2.014221 4.266484 -0.563347
H -2.254669 -4.920725 1.148923
H 4.489895 1.957305 -2.031306
H 0.661223 0.353935 3.003825
H -4.307739 4.020812 -1.576547
H -4.652318 -4.881383 0.381579
H 3.551515 -0.326469 3.324189
H 2.340026 -0.066986 4.610951
H 3.055803 1.339611 3.754526
H 5.231074 -1.096609 -2.847992
H 6.105160 -2.053077 -1.560133
H 4.369330 -1.551440 -1.294950


