%chk=000112864.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112864

0 1
 S   -5.246400      2.7000001E-03 -0.2216000    
 O   -5.890400      6.1700001E-02   1.279900    
 O   -5.638500       1.229400     -0.9002000    
 O   -5.560300      -1.295900     -0.7969000    
 N    1.216100      0.1161000     -0.5131000    
 N   0.6295000      0.1590000      0.5930000    
 N    6.759200      0.3208000      0.2597000    
 C    3.332600      -1.025000     -0.1614000    
 C    2.602500      0.1529000     -0.3194000    
 C   -3.517500      4.8500001E-02  1.8800000E-02
 C    4.713000     -0.9694000      3.0900000E-02
 C  -0.7619000      0.1222000      0.3990000    
 C    5.363300      0.2641000      6.5200001E-02
 C   -2.802600      -1.139300      0.1724000    
 C   -2.851100       1.273300      5.5599999E-02
 C    3.252700       1.386400     -0.2850000    
 C   -1.421300      -1.102400      0.3632000    
 C   -1.469900       1.310300      0.2462000    
 C    4.633100       1.442100     -9.2799999E-02
 C    2.657900      -2.357400     -0.1936000    
 H    5.285900      -1.885600      0.1560000    
 H   -3.300700      -2.104600      0.1550000    
 H   -3.388200       2.211100     -5.4600000E-02
 H    2.693100       2.310300     -0.4079000    
 H  -0.8722000      -2.032200      0.4847000    
 H  -0.9585000       2.268800      0.2762000    
 H    5.128200       2.409500     -6.8200000E-02
 H    3.381900      -3.179200     -0.2173000    
 H    2.034100      -2.489500      0.6962000    
 H    2.034900      -2.455100      -1.089000    
 H    7.289400     -0.5326000      0.3750000    
 H    7.230800       1.215100      0.2854000    
 H   -5.686000      0.8769000       1.795900    


%chk=000112864-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112864

0 1
S -5.451726 0.060759 -0.129461
O -5.702081 -0.031113 1.714605
O -6.139818 1.423605 -0.668757
O -5.864044 -1.371219 -0.763172
N 1.318641 -0.297167 0.001553
N 0.570670 0.789342 -0.000809
N 6.920883 0.346157 0.114706
C 3.544660 -1.248694 0.029984
C 2.710738 -0.076143 0.030247
C -3.598098 0.245740 -0.074623
C 4.940002 -1.085037 0.058576
C -0.833143 0.521847 -0.026569
C 5.541878 0.209212 0.087138
C -2.815009 -0.925197 -0.067182
C -3.067767 1.547012 -0.059345
C 3.315013 1.220479 0.059381
C -1.417827 -0.780309 -0.045651
C -1.665765 1.675147 -0.038450
C 4.700528 1.368756 0.087251
C 2.936049 -2.636655 -0.001602
H 5.583238 -1.973634 0.058894
H -3.291229 -1.910409 -0.093126
H -3.727918 2.419334 -0.078864
H 2.652878 2.091785 0.059074
H -0.756909 -1.651316 -0.040530
H -1.187855 2.659320 -0.027894
H 5.154433 2.366829 0.109359
H 3.719713 -3.413266 0.016664
H 2.262553 -2.793699 0.858934
H 2.320682 -2.778289 -0.907512
H 7.528710 -0.468941 0.114648
H 7.353287 1.266181 0.134854
H -6.682667 -0.157417 1.874978


