%chk=000096607.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096607

0 1
 S   -2.456400      0.7957000     -0.3262000    
 O    2.991800       2.551200      0.1356000    
 O    4.419900      -1.841800      0.1971000    
 N   0.1819000       1.439700     -0.1049000    
 N    2.115000      -1.485600      1.5400000E-02
 N  -0.2321000     -0.7523000     -0.1652000    
 N    3.669800      0.3356000      0.1629000    
 C    1.393900      0.8195000     -1.4900000E-02
 C    1.112400     -0.5222000     -5.4099999E-02
 C  -0.7658000      0.4520000     -0.1935000    
 C   -4.740700     -0.8145000     -0.5312000    
 C   -3.217900     -0.8622000     -0.4084000    
 C    2.710600       1.357200      9.8200001E-02
 C   -5.433600     -0.1509000      0.6619000    
 C  -4.0300000E-02   2.868900     -0.1055000    
 C    3.462100      -1.066400      0.1293000    
 C    1.777100      -2.901000     -2.8899999E-02
 C   -6.947700     -0.2229000      0.5322000    
 H   -5.022400     -0.2970000      -1.457000    
 H   -5.106200      -1.844700     -0.6287000    
 H   -2.937400      -1.423000      0.4900000    
 H   -2.805200      -1.389800      -1.275100    
 H   -5.129600     -0.6473000       1.590900    
 H   -5.145500      0.9021000      0.7451000    
 H  -8.2000000E-03   3.217200      0.9298000    
 H   0.7420000       3.351100     -0.6965000    
 H   -1.000500       3.116700     -0.5598000    
 H    4.637000      0.6375000      0.2446000    
 H    1.262700      -3.114700     -0.9708000    
 H    1.118500      -3.136000      0.8128000    
 H    2.671100      -3.526400      3.5900000E-02
 H   -7.425000      0.2552000       1.393400    
 H   -7.289200      -1.262100      0.4889000    
 H   -7.288400      0.2894000     -0.3731000    


%chk=000096607-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096607

0 1
S -2.520598 0.902169 -0.218190
O 3.176666 2.573357 0.048847
O 4.430213 -1.949422 0.080459
N 0.193456 1.515616 -0.092562
N 2.119526 -1.496125 -0.022475
N -0.231247 -0.737951 -0.124310
N 3.715263 0.279080 0.060174
C 1.438624 0.858778 -0.040695
C 1.135273 -0.514698 -0.061823
C -0.768447 0.516941 -0.142416
C -4.720583 -0.850860 -0.458140
C -3.201804 -0.885195 -0.239756
C 2.784069 1.365158 0.023709
C -5.524071 -0.185653 0.684049
C -0.029785 2.970973 -0.095345
C 3.481724 -1.117041 0.041691
C 1.758478 -2.925670 -0.049311
C -7.047500 -0.258878 0.447961
H -4.952972 -0.354311 -1.421260
H -5.053391 -1.904270 -0.565206
H -2.921522 -1.340059 0.723723
H -2.666015 -1.403844 -1.049357
H -5.269040 -0.680640 1.642742
H -5.215409 0.873164 0.789602
H -0.650069 3.263366 0.769898
H 0.950919 3.467007 -0.031863
H -0.539201 3.278544 -1.025334
H 4.704971 0.540314 0.107149
H 1.210844 -3.161545 -0.977158
H 1.115878 -3.170561 0.812827
H 2.692930 -3.503981 -0.003358
H -7.604952 0.220549 1.272708
H -7.389326 -1.308616 0.374903
H -7.329200 0.252505 -0.491681


