%chk=000051245.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051245

0 1
 S    5.094400     -0.6529000      0.7552000    
 N    1.049700       1.729600     -0.9078000    
 N   0.5894000     -0.4480000     -5.0500002E-02
 N   -3.572500     -0.4047000      0.4917000    
 N    2.791200      0.3397000     -0.1304000    
 N    2.765000      -1.752800      0.9703000    
 C    2.048300       2.754200      -1.177700    
 C  -0.8157000     -0.4584000      0.1185000    
 C   -1.608500      -1.508600     -0.3637000    
 C    3.089500       2.173200      -2.133700    
 C    1.336400       3.945600      -1.817200    
 C    2.693100       3.160500      0.1472000    
 C   -2.771900      0.5885000      0.9415000    
 C   -3.445200       1.716500       1.649700    
 C   -1.401100      0.6099000      0.7825000    
 C   -3.001500      -1.440300     -0.1524000    
 C    1.440400      0.6118000     -0.3606000    
 C   -3.861200       2.839100      0.6895000    
 C   -1.046200      -2.604500      -1.040100    
 C   -3.788600      -2.483800     -0.6316000    
 C   -4.576500       3.968900       1.412900    
 C   -1.857000      -3.634300      -1.508700    
 C   -3.229800      -3.573500      -1.304100    
 C    3.401000     -0.7033000      0.5159000    
 C    4.994500      -2.173300       1.542300    
 C    3.682900      -2.599000       1.561200    
 H    2.865900       1.169100      -2.511700    
 H    4.113100       2.207400      -1.741300    
 H    3.144800       2.791300      -3.041000    
 H   0.5665000       4.348800      -1.148900    
 H   0.8341000       3.654000      -2.746900    
 H    2.037600       4.754800      -2.049200    
 H    1.917700       3.422100      0.8791000    
 H    3.291200       4.068700     -5.9000002E-03
 H    3.366300       2.470400      0.6530000    
 H   -4.334000       1.331700       2.166400    
 H   -2.789900       2.115000       2.434500    
 H  -0.8103000       1.430800       1.176200    
 H    1.011100      -1.365900      4.5800000E-02
 H   -2.977300       3.241900      0.1796000    
 H   -4.520500       2.438500     -9.0300001E-02
 H   2.1100000E-02  -2.683800      -1.227600    
 H   -4.866700      -2.459800     -0.4842000    
 H    3.487000       1.000400     -0.4252000    
 H   -3.930900       4.415900       2.175600    
 H   -4.859900       4.753600      0.7046000    
 H   -5.486700       3.606900       1.901500    
 H   -1.419700      -4.478700      -2.032700    
 H   -3.870100      -4.372300      -1.666900    
 H    5.869600      -2.666600       1.940200    
 H    3.339300      -3.527300       1.997200    


%chk=000051245-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051245

0 1
S 5.217272 -1.405741 -0.643803
N 1.249044 1.928103 -0.003003
N 0.670283 -0.384378 0.035177
N -3.577037 -0.308270 0.646279
N 2.941085 0.198381 -0.278666
N 2.685385 -2.204804 -0.293390
C 2.154878 3.109370 -0.119445
C -0.722043 -0.323782 0.233771
C -1.448229 -1.582596 0.315812
C 2.811441 3.202641 -1.530378
C 1.228787 4.340972 0.062745
C 3.230502 3.148683 1.009729
C -2.863587 0.837264 0.564029
C -3.641369 2.137384 0.654510
C -1.447035 0.871912 0.359987
C -2.880244 -1.505528 0.523244
C 1.578864 0.669812 -0.074791
C -4.031666 2.683482 -0.748132
C -0.839634 -2.875356 0.208058
C -3.638925 -2.716539 0.613273
C -4.843244 3.993224 -0.660817
C -1.607836 -4.040970 0.299656
C -3.019370 -3.963332 0.503858
C 3.415777 -1.093894 -0.375238
C 4.817649 -3.169215 -0.623312
C 3.465968 -3.359493 -0.431749
H 2.031075 3.154734 -2.310154
H 3.540860 2.396847 -1.739186
H 3.345729 4.164537 -1.632875
H 0.740920 4.303929 1.052472
H 0.437186 4.333668 -0.706652
H 1.798947 5.284556 -0.019685
H 2.748824 3.002916 1.992691
H 3.732249 4.133195 1.012598
H 4.024167 2.382991 0.908731
H -4.562465 1.955113 1.237150
H -3.043519 2.904090 1.185414
H -0.912862 1.820512 0.303954
H 1.106128 -1.324414 -0.044948
H -3.113225 2.848468 -1.346097
H -4.619497 1.907994 -1.275816
H 0.240621 -2.975632 0.051719
H -4.717265 -2.615370 0.770644
H 3.625097 0.949570 -0.351414
H -4.263544 4.788685 -0.154870
H -5.119657 4.362414 -1.665743
H -5.776883 3.841804 -0.087222
H -1.124050 -5.020566 0.214476
H -3.611475 -4.882544 0.574197
H 5.607079 -3.904767 -0.752930
H 2.978246 -4.333062 -0.382059


