%chk=000058149.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058149

0 1
 S   -3.693900       1.505300      0.6220000    
 O   -2.079400       3.541200      0.5511000    
 N    3.210100     -3.4800000E-02 -0.4834000    
 N   0.2016000       1.945500     -0.3356000    
 N   0.2359000     -0.2368000     -0.7299000    
 C    3.121500      8.1000002E-03  0.9829000    
 C    4.601200      0.1063000     -0.9360000    
 C    3.955000      -1.105500       1.618900    
 C    5.483100      -1.004000     -0.3627000    
 C    5.407200      -1.042500       1.159400    
 C    2.371000       1.005800      -1.077300    
 C   0.9460000      0.8679000     -0.7239000    
 C   -1.018500      0.1521000     -0.3272000    
 C   -1.074400       1.507200     -7.3500000E-02
 C   -2.154800     -0.7264000     -0.1798000    
 C   -3.395900     -0.2182000      0.2394000    
 C   -2.161700       2.333600      0.3613000    
 C   -2.020900      -2.095600     -0.4562000    
 C   -4.483000      -1.096800      0.3731000    
 C   -3.110100      -2.955500     -0.3184000    
 C   -4.340100      -2.456600      9.5799997E-02
 H    2.092100     -0.1361000       1.329400    
 H    3.459000      0.9808000       1.365500    
 H    5.009200       1.084300     -0.6484000    
 H    4.644500      4.4300001E-02  -2.030200    
 H    3.529100      -2.081400       1.352800    
 H    3.910200      -1.024400       2.710900    
 H    6.521700     -0.8513000     -0.6771000    
 H    5.164900      -1.972500     -0.7691000    
 H    5.883300     -0.1449000       1.572600    
 H    5.961100      -1.906700       1.542300    
 H    2.439800      0.9431000      -2.171200    
 H    2.739900       2.002000     -0.7977000    
 H   0.5270000       2.899700     -0.2536000    
 H   -1.070600      -2.512500     -0.7818000    
 H   -5.457000     -0.7344000      0.6954000    
 H   -2.997000      -4.013800     -0.5346000    
 H   -5.189600      -3.124700      0.2037000    


%chk=000058149-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058149

0 1
S -3.643666 1.252147 1.209256
O -1.714365 3.152868 1.561304
N 3.280023 -0.093874 -0.343992
N 0.313592 1.614582 0.026984
N 0.040855 -0.404338 -0.953788
C 3.428351 0.492493 1.011701
C 4.591028 -0.269732 -1.022908
C 4.338323 -0.382066 1.897993
C 5.526491 -1.170213 -0.192475
C 5.714960 -0.598471 1.230782
C 2.336459 0.667806 -1.198694
C 0.913286 0.605810 -0.716274
C -1.157768 -0.033054 -0.332492
C -1.007315 1.232081 0.287962
C -2.373725 -0.824525 -0.335053
C -3.548970 -0.348987 0.321012
C -1.940207 2.030229 1.038274
C -2.415735 -2.087770 -0.991801
C -4.734666 -1.125230 0.312060
C -3.591395 -2.854390 -0.998892
C -4.755147 -2.370813 -0.345040
H 2.427731 0.570045 1.475124
H 3.857258 1.531350 0.953954
H 5.093472 0.720646 -1.195141
H 4.406892 -0.723884 -2.014673
H 3.843936 -1.360003 2.053372
H 4.452481 0.098191 2.888566
H 6.499975 -1.261896 -0.711159
H 5.081495 -2.181740 -0.129642
H 6.253902 0.370175 1.171395
H 6.338548 -1.277635 1.841756
H 2.360036 0.221325 -2.208306
H 2.639153 1.744833 -1.300603
H 0.734287 2.490250 0.341180
H -1.501468 -2.432138 -1.485089
H -5.633182 -0.754389 0.816766
H -3.611616 -3.823806 -1.507322
H -5.675806 -2.964080 -0.347197


