%chk=000074892.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074892

0 1
 I    3.046800       4.703800     -0.3347000    
 I    4.407700      -4.111200     -0.9673000    
 S   -4.089500     -0.3939000      1.2300000E-02
 O   -4.439000      -1.283700       1.110800    
 O   -4.762400      0.8908000     -0.1199000    
 N    1.778600      0.5538000      0.1582000    
 N   -4.244600      -1.247900      -1.459500    
 C    2.678600     -0.3894000      0.7769000    
 C   0.3948000      0.3304000      0.1242000    
 C    2.339800       1.759200     -0.4550000    
 C    3.012700      -1.528600     -0.1834000    
 C  -0.1476000     -0.8253000      0.6962000    
 C  -0.4554000       1.261100     -0.4825000    
 C   -2.366400     -0.1157000      5.5500001E-02
 C    2.198500       2.933800      0.5053000    
 C    4.003600      -2.528400      0.4173000    
 C   -1.524200      -1.047700      0.6619000    
 C   -1.832100       1.038700     -0.5165000    
 H    2.300300     -0.7628000       1.735800    
 H    3.615000      0.1197000       1.043600    
 H    1.909300       1.958700      -1.443800    
 H    3.406600       1.593500     -0.6600000    
 H    3.433300      -1.107400      -1.106500    
 H    2.099900      -2.055900     -0.4847000    
 H   0.4540000      -1.588100       1.178600    
 H  -0.1074000       2.175900     -0.9494000    
 H    1.153700       3.130300      0.7643000    
 H    2.710100       2.705800       1.448300    
 H    4.939800      -2.020900      0.6745000    
 H    3.594300      -2.951200       1.341400    
 H   -1.918800      -1.956800       1.107200    
 H   -2.469300       1.774000      -1.000000    
 H   -4.469300      -2.249100      -1.408500    
 H   -4.688600     -0.7619000      -2.248200    


%chk=000074892-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000074892

0 1
I 3.271233 4.749055 -0.465093
I 4.730289 -4.116760 -0.880779
S -4.215156 -0.451839 -0.031384
O -4.572582 -1.545093 1.126642
O -4.958252 0.994842 -0.167703
N 1.779338 0.579167 0.184359
N -4.491807 -1.315438 -1.638174
C 2.710620 -0.383988 0.803312
C 0.397258 0.338300 0.130136
C 2.380126 1.762651 -0.458990
C 3.122757 -1.528874 -0.171151
C -0.164842 -0.870952 0.656101
C -0.498947 1.301161 -0.440205
C -2.382137 -0.145063 0.020267
C 2.371072 2.968220 0.503756
C 4.108505 -2.492945 0.498072
C -1.547888 -1.112221 0.604456
C -1.881213 1.059401 -0.501362
H 2.264667 -0.801858 1.725360
H 3.614410 0.170015 1.120421
H 1.849341 2.011098 -1.394959
H 3.420921 1.526201 -0.744308
H 3.581764 -1.084680 -1.074105
H 2.221581 -2.074085 -0.505232
H 0.474380 -1.635457 1.104300
H -0.126143 2.251257 -0.831926
H 1.354315 3.275373 0.790584
H 2.979966 2.789254 1.403307
H 5.052687 -2.005806 0.790272
H 3.673973 -3.019249 1.362937
H -1.975220 -2.027575 1.026738
H -2.564936 1.806830 -0.916864
H -4.897063 -2.243797 -1.428232
H -5.120220 -0.723549 -2.208153


