%chk=000026026.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026026

1 1
 S   9.2900001E-02   1.095400       1.659500    
 O    5.632800       1.446100     -0.4342000    
 N   -4.253300       1.351000     -0.4918000    
 N   -1.538700     -0.9457000      0.6556000    
 N   0.5427000      -1.494100      0.8100000    
 C   -4.219300       2.373500      0.5535000    
 C   -4.543000       2.079800      -1.726500    
 C   -5.404700       3.260500      0.2021000    
 C   -5.619600       3.064800      -1.295500    
 C   -3.011800      0.5956000     -0.5709000    
 C   -2.771700     -0.1681000      0.7258000    
 C   -1.457200      -2.244000      0.2060000    
 C  -0.3328000     -0.5048000       1.015400    
 C  -0.1101000      -2.600200      0.3056000    
 C   -2.428000      -3.117900     -0.2689000    
 C   0.3600000      -3.855000     -6.3100003E-02
 C   -1.968800      -4.388400     -0.6447000    
 C  -0.6079000      -4.748100     -0.5443000    
 C    1.765200       1.200700       1.028000    
 C    1.988200       1.143800     -0.3434000    
 C    2.828700       1.338900       1.913100    
 C    3.290700       1.226200     -0.8358000    
 C    4.131200       1.421400       1.420800    
 C    4.362200       1.365100      4.6399999E-02
 C    5.909600      0.7641000      -1.656600    
 C    7.362600      0.3394000      -1.666200    
 H   -3.293300       2.962000      0.5216000    
 H   -4.343100       1.963200       1.560300    
 H   -4.897400       1.418500      -2.523300    
 H   -3.664600       2.627700      -2.091200    
 H   -6.302200       2.948200      0.7490000    
 H   -5.208400       4.308700      0.4496000    
 H   -5.542500       4.009400      -1.843400    
 H   -6.619300       2.652300      -1.475700    
 H   -2.155200       1.246900     -0.7871000    
 H   -3.073700     -0.1229000      -1.397500    
 H   -2.697100      0.4933000       1.594300    
 H   -3.607400     -0.8461000      0.9373000    
 H    1.538500      -1.451500       1.007600    
 H   -3.470800      -2.838700     -0.3481000    
 H    1.406700      -4.118100      1.8800000E-02
 H   -2.680500      -5.117700      -1.025400    
 H  -0.3024000      -5.746500     -0.8494000    
 H    1.165400       1.046100      -1.047300    
 H    2.666800       1.383900       2.987000    
 H    3.424200       1.207000      -1.913400    
 H    4.962100       1.529300       2.112700    
 H    5.715200       1.439200      -2.497400    
 H    5.301500     -0.1428000      -1.764900    
 H    7.575800     -0.3255000     -0.8227000    
 H    8.019100       1.209200      -1.559000    
 H    7.613200     -0.1786000      -2.596300    


%chk=000026026-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026026

1 1
S 0.252363 1.342088 0.366078
O 6.257355 0.733725 0.066240
N -4.621832 1.424836 -0.168521
N -1.589748 -0.782137 0.344087
N 0.474936 -1.426025 -0.188777
C -4.326314 2.785835 0.381870
C -5.752422 1.530724 -1.134603
C -5.549803 3.664981 -0.016801
C -6.613074 2.647937 -0.516502
C -3.475186 0.624075 -0.577674
C -2.750833 0.073721 0.683054
C -1.644533 -2.179621 0.083152
C -0.302407 -0.355219 0.162930
C -0.321576 -2.592122 -0.247404
C -2.714934 -3.092835 0.122960
C -0.014307 -3.931282 -0.549544
C -2.409803 -4.437065 -0.180072
C -1.086828 -4.848039 -0.509872
C 2.080174 1.077348 0.223986
C 2.715715 1.304835 -1.017438
C 2.833892 0.760253 1.384250
C 4.119241 1.193948 -1.116506
C 4.229302 0.645581 1.286986
C 4.882362 0.863283 0.039079
C 7.034704 0.992729 -1.180434
C 8.504541 0.801798 -0.828119
H -3.383921 3.199468 -0.049399
H -4.199220 2.739233 1.480302
H -6.285893 0.566441 -1.213947
H -5.411251 1.825365 -2.156761
H -5.916565 4.275896 0.824062
H -5.273349 4.354372 -0.834334
H -7.315578 3.090482 -1.241962
H -7.194600 2.245151 0.331208
H -2.733813 1.195089 -1.197040
H -3.829624 -0.226168 -1.190104
H -2.392869 0.906113 1.314467
H -3.458572 -0.519448 1.284791
H 1.480166 -1.348394 -0.359356
H -3.734319 -2.787606 0.374794
H 0.999591 -4.254004 -0.802135
H -3.210069 -5.182758 -0.160951
H -0.897239 -5.901096 -0.737867
H 2.127956 1.580378 -1.898902
H 2.338132 0.619292 2.349737
H 4.601297 1.377975 -2.079811
H 4.840256 0.407173 2.162042
H 6.825983 2.026599 -1.519586
H 6.704279 0.277756 -1.960141
H 8.695649 -0.225181 -0.474893
H 8.814480 1.507170 -0.039396
H 9.128609 0.983850 -1.721223


