%chk=000005337.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005337

-1 1
 S    1.528400      -2.021400     -0.5670000    
 O    1.037000      -1.904200      -1.938200    
 O    2.713500      -2.864400     -0.4237000    
 N   0.3988000      -2.242700      0.5424000    
 N   -1.120300     -0.8904000     -0.4772000    
 N   -2.381700     -0.4325000       1.955700    
 N    3.696700       3.414300      0.4866000    
 C    2.185700     -0.3728000     -0.2473000    
 C    3.243700     -0.2611000      0.6113000    
 C    1.594600      0.6858000     -0.8790000    
 C   -2.199300     -9.1399997E-02 -0.4038000    
 C   -2.838200      0.1403000      0.8281000    
 C  -0.6794000      -1.453800      0.6620000    
 C    3.181900       2.124900      0.2374000    
 C    3.752200       1.014000      0.8588000    
 C    2.103200       1.960900     -0.6315000    
 C   -2.699400      0.5187000      -1.551800    
 C   -3.953600      0.9737000      0.8665000    
 C   -1.301200      -1.228200       1.861000    
 C   -3.816400       1.351100      -1.502400    
 C   -4.446200       1.579400     -0.2881000    
 H    3.690800      -1.112900       1.111800    
 H   0.7674000      0.5837000      -1.570900    
 H    4.591500       1.129200       1.540000    
 H    1.652500       2.818400      -1.124700    
 H   -2.214200      0.3485000      -2.510800    
 H   -4.457400       1.161700       1.812600    
 H  -0.9650000      -1.669700       2.792300    
 H   -4.189700       1.817000      -2.409100    
 H   -5.317000       2.225700     -0.2358000    
 H    3.282300       4.220200      3.7599999E-02
 H    4.477700       3.534300       1.117900    


%chk=000005337-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005337

-1 1
S 1.645863 -2.037895 -0.259878
O 1.220149 -2.297259 -1.821662
O 2.842553 -2.976842 0.348965
N 0.288803 -2.206462 0.984253
N -1.063285 -0.541663 -0.229650
N -3.080169 -1.118858 1.774292
N 4.130810 3.546151 0.024829
C 2.366267 -0.276169 -0.149640
C 3.575013 -0.116001 0.548566
C 1.729470 0.795822 -0.798460
C -2.293357 0.090456 -0.236982
C -3.316375 -0.177868 0.754821
C -0.838333 -1.469669 0.767767
C 3.545207 2.272527 -0.033278
C 4.166575 1.161962 0.608256
C 2.322581 2.072788 -0.739012
C -2.589118 1.055223 -1.256926
C -4.563229 0.501758 0.708452
C -1.898676 -1.729264 1.766519
C -3.825244 1.715387 -1.284350
C -4.824600 1.445252 -0.299415
H 4.032880 -0.995131 1.015957
H 0.773409 0.617105 -1.301085
H 5.110601 1.304656 1.150458
H 1.834739 2.923797 -1.231951
H -1.820814 1.246086 -2.014783
H -5.302360 0.261207 1.481658
H -1.690797 -2.470403 2.546384
H -4.030651 2.447533 -2.075959
H -5.787277 1.968717 -0.334685
H 3.673476 4.344174 -0.404135
H 4.984787 3.699183 0.551373


