%chk=000002062.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002062

0 1
 S   -1.447900     -0.1380000       1.117500    
 S   -4.233300      0.6921000       1.982400    
 O    2.801200      -3.837800     -0.1074000    
 O   0.1011000      -3.238400     -9.9100001E-02
 O    5.761600       2.750900      -1.679100    
 N   -3.609200      8.3400004E-02 -0.4450000    
 N    5.980000       3.403600      0.4998000    
 N    3.828500       1.357400       2.466400    
 C   0.6097000     -0.9425000     -0.5314000    
 C  -0.8529000     -0.5926000     -0.5322000    
 C    1.018300      -2.252600     -0.3145000    
 C    1.540600      6.5499999E-02 -0.7515000    
 C    2.901100     -0.2414000     -0.7543000    
 C    2.379100      -2.559700     -0.3173000    
 C    3.320500      -1.553900     -0.5372000    
 C   -5.484300      0.7674000      0.7982000    
 C   -4.958400      0.4061000     -0.4459000    
 C   -3.130300      0.1991000      0.7716000    
 C    3.882800      0.8072000     -0.9835000    
 C   -6.833600       1.120900      0.9585000    
 C   -5.815700      0.3990000      -1.567500    
 C   -7.660500       1.105800     -0.1676000    
 C   -7.160200      0.7499000      -1.415200    
 C    4.452800       1.591300     -3.4200002E-02
 C    3.054800      -4.223200       1.242200    
 C    5.446500       2.619700     -0.4983000    
 C    4.107700       1.460600       1.344600    
 H   -1.010200      0.2612000      -1.204000    
 H   -1.453000      -1.405300     -0.9570000    
 H    1.211500       1.088700     -0.9197000    
 H    4.379800      -1.802100     -0.5392000    
 H    4.151300      0.9241000      -2.031500    
 H   -7.231200       1.400000       1.929600    
 H   -5.435300      0.1227000      -2.546800    
 H   -8.708300       1.376100     -6.5300003E-02
 H   -7.818200      0.7438000      -2.279800    
 H  -0.7269000      -2.859300      0.2366000    
 H    2.146500      -4.132900       1.846300    
 H    3.854100      -3.611100       1.671600    
 H    3.374600      -5.268800       1.245600    
 H    5.736700       3.314200       1.480600    
 H    6.659800       4.123600      0.2770000    


%chk=000002062-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002062

0 1
S -1.458431 -0.190174 1.747269
S -4.530822 -0.064662 2.387187
O 2.413412 -3.794819 -0.361667
O -0.216531 -2.603954 0.039867
O 7.199045 1.420380 -0.572472
N -3.516729 0.109593 -0.107743
N 6.543286 3.640114 -0.372264
N 3.100813 3.842635 0.048413
C 0.835301 -0.373418 0.061822
C -0.510532 0.297701 0.120802
C 0.924579 -1.800425 -0.012711
C 2.002146 0.410052 -0.013143
C 3.279525 -0.193770 -0.204971
C 2.195071 -2.425749 -0.197678
C 3.341530 -1.613732 -0.296099
C -5.661306 0.116203 0.972375
C -4.918641 0.199556 -0.251150
C -3.158517 -0.028351 1.146104
C 4.538346 0.531240 -0.312998
C -7.066955 0.180520 0.989083
C -5.604313 0.352573 -1.478355
C -7.736030 0.333982 -0.247025
C -7.011632 0.419048 -1.466217
C 4.825164 1.882527 -0.267530
C 1.593981 -4.777916 0.380145
C 6.283907 2.284158 -0.417144
C 3.859259 2.922575 -0.093304
H -0.424797 1.393095 0.131295
H -1.201807 -0.011066 -0.682104
H 1.907197 1.496695 0.054329
H 4.302281 -2.119940 -0.438229
H 5.440031 -0.084308 -0.457570
H -7.632829 0.116675 1.923188
H -5.032418 0.415562 -2.408631
H -8.829637 0.388381 -0.260239
H -7.555372 0.537752 -2.409127
H -0.955859 -2.128509 0.520157
H 0.566844 -4.816141 -0.012221
H 1.572438 -4.534213 1.458577
H 2.112995 -5.735239 0.221042
H 5.806717 4.334520 -0.248319
H 7.510491 3.945548 -0.468747


