%chk=000055734.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055734

0 1
 S    3.017900      -1.660300      3.9200000E-02
 N   -2.902400      0.6068000     -4.1800000E-02
 N   -8.067400       1.762000      8.8100001E-02
 N    8.883100       1.151100      1.8100001E-02
 N   -8.958200     -0.3208000      6.7100003E-02
 N    8.486800      -1.075500      0.1493000    
 C   -4.160000      4.6799999E-02 -2.6000001E-02
 C   -3.993100      -1.339400     -5.6000002E-02
 C   -6.540800     -0.1798000      1.9600000E-02
 C   -7.869900      0.4110000      5.8499999E-02
 C   -5.419700      0.6551000      1.2100000E-02
 C   -1.948800     -0.3749000     -8.0600001E-02
 C   -2.592900      -1.590700     -9.0200000E-02
 C    6.541900      0.3608000      6.8999999E-03
 C   -9.466400       2.066100      0.1154000    
 C    7.977300      0.1298000      5.9200000E-02
 C    3.765300      0.8111000     -9.6100003E-02
 C    4.279500     -0.4857000     -5.0000002E-04
 C   -5.137900      -2.160700     -4.7699999E-02
 C   -6.404400      -1.566100     -9.8000001E-03
 C   -10.07860      0.6628000      0.1129000    
 C    10.21970      0.6427000      9.3099996E-02
 C    9.963300     -0.8648000      0.1707000    
 C    5.666600     -0.7260000      5.2099999E-02
 C    1.826100     -0.4623000     -6.8800002E-02
 C    2.330600      0.7995000     -0.1341000    
 C    6.055600       1.656900     -8.8299997E-02
 C  -0.6000000      1.1000000E-02 -0.1016000    
 C    4.679000       1.892000     -0.1398000    
 C   0.4477000     -0.8585000     -8.0899999E-02
 H   -5.482000       1.736400      3.4200002E-02
 H   -2.721300       1.601600     -2.6500000E-02
 H   -2.120700      -2.563800     -0.1193000    
 H   -9.767800       2.637600     -0.7673000    
 H   -9.738200       2.622600       1.016900    
 H   -5.045600      -3.242800     -7.0299998E-02
 H   -7.271600      -2.222100     -4.3000001E-03
 H   -10.67540      0.4935000       1.015500    
 H   -10.72740      0.5191000     -0.7575000    
 H    10.73640       1.008900      0.9850000    
 H    10.79970      0.9075000     -0.7955000    
 H   -7.362300       2.487400      8.5100003E-02
 H    10.41790      -1.384200     -0.6795000    
 H    10.37980      -1.286900       1.091300    
 H    6.029600      -1.747500      0.1262000    
 H    8.690600       2.142100     -4.7800001E-02
 H    1.740700       1.704800     -0.2087000    
 H    6.705400       2.525200     -0.1260000    
 H  -0.3986000       1.079600     -0.1179000    
 H    4.312200       2.912800     -0.2143000    
 H   0.2373000      -1.926400     -5.5399999E-02


%chk=000055734-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055734

0 1
S 3.102117 -1.695330 0.007536
N -3.011831 0.758200 0.047652
N -8.326850 1.744192 -0.134297
N 9.103819 1.105315 0.171746
N -9.110436 -0.361556 0.400142
N 8.676801 -1.126411 -0.224815
C -4.271101 0.156777 0.040317
C -4.059393 -1.271441 -0.021011
C -6.670771 -0.141581 0.070739
C -8.053412 0.381508 0.109409
C -5.556539 0.732358 0.086948
C -2.003047 -0.232009 -0.007977
C -2.640935 -1.491031 -0.052214
C 6.711023 0.360855 -0.065530
C -9.797730 1.938694 -0.178494
C 8.163431 0.079908 -0.036852
C 3.903445 0.866566 -0.094579
C 4.433576 -0.469151 -0.039967
C -5.198648 -2.127966 -0.028196
C -6.478761 -1.562937 0.018752
C -10.300079 0.551307 0.371720
C 10.454635 0.506880 0.299322
C 10.167585 -0.976299 -0.147912
C 5.809639 -0.733406 -0.025571
C 1.853258 -0.352386 -0.046209
C 2.463867 0.900058 -0.097369
C 6.205181 1.696066 -0.132439
C -0.607489 0.147694 -0.012581
C 4.825075 1.950408 -0.146428
C 0.456489 -0.730200 -0.030226
H -5.689514 1.816319 0.176729
H -2.835211 1.759554 0.096838
H -2.136995 -2.454675 -0.103227
H -10.148390 2.123667 -1.214465
H -10.116624 2.784248 0.455921
H -5.074313 -3.215242 -0.067922
H -7.376850 -2.187649 0.022789
H -10.694813 0.649138 1.401011
H -11.098882 0.111009 -0.250607
H 10.821801 0.560841 1.344467
H 11.187088 1.010738 -0.355762
H -7.703250 2.326594 -0.692637
H 10.596642 -1.183995 -1.146562
H 10.585113 -1.718867 0.554541
H 6.222919 -1.745566 0.012101
H 8.867105 1.992304 0.613303
H 1.896297 1.833128 -0.143137
H 6.900634 2.539118 -0.209096
H -0.398248 1.227381 0.002250
H 4.451635 2.978613 -0.204740
H 0.239539 -1.806341 -0.029407


