%chk=000130575.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130575

0 1
 O    3.231900      -1.674800       1.189500    
 O   -1.239100     -0.3019000      -1.581100    
 O  -0.1302000       2.093400       1.675500    
 O   -4.480600      -3.728000      -1.580500    
 O    5.043300      -1.612900     -0.8869000    
 O   -5.205900      -2.342600      7.7900000E-02
 O   -3.351900       4.351100     -0.6761000    
 N   -1.113500       2.130500     -0.4266000    
 N   -2.875500      -1.029500     -9.9399999E-02
 N   0.5238000       4.695200      4.7600001E-02
 N   -4.591000       3.317800      0.9623000    
 C   -2.278700       1.316400     -0.1084000    
 C   -2.859500      -2.433000     -0.4844000    
 C   0.9811000       3.311600     -0.1051000    
 C    2.334200       3.154400      0.6073000    
 C   -2.163900      -3.316900      0.5569000    
 C   -2.046000     -7.7100001E-02 -0.6811000    
 C   -3.540900       1.933700     -0.6936000    
 C  -0.1210000       2.436800      0.4953000    
 C    3.051800       1.882900      0.2173000    
 C  -0.7087000      -2.964800      0.7482000    
 C    2.828100      0.6938000      0.9204000    
 C   -4.303700      -2.803300     -0.6054000    
 C    3.940300       1.871700     -0.8674000    
 C    3.465000     -0.4878000      0.5256000    
 C   0.2085000      -3.132800     -0.2994000    
 C  -0.2648000      -2.429600       1.966200    
 C   -3.797100       3.327900     -0.1644000    
 C    1.941900      -2.138400       1.046700    
 C    4.373300     -0.4851000     -0.5314000    
 C    1.531600      -2.719100     -0.1541000    
 C    1.061500      -2.028800       2.121900    
 C    4.604400      0.6973000      -1.231500    
 C    5.951300      -1.508500      -1.981700    
 H   -2.364000       1.239700      0.9821000    
 H   -2.383200      -2.516600      -1.467900    
 H    1.090700       3.092900      -1.173800    
 H    2.219500       3.185500       1.698900    
 H    2.989600       4.000900      0.3588000    
 H   -2.692300      -3.248900       1.517400    
 H   -2.230200      -4.371400      0.2586000    
 H  -0.9988000       2.429100      -1.391000    
 H   -4.413300       1.299200     -0.4940000    
 H   -3.466800       2.007300      -1.786500    
 H   -3.510100     -0.7437000      0.6415000    
 H    2.154600      0.6895000       1.772600    
 H   0.3987000       4.916700       1.034700    
 H  -0.3859000       4.811700     -0.3969000    
 H    4.126400       2.782400      -1.431600    
 H  -0.1110000      -3.562100      -1.245600    
 H  -0.9558000      -2.300500       2.795500    
 H    2.223800      -2.834800     -0.9831000    
 H    1.388400      -1.598700       3.064200    
 H    5.284600      0.7828000      -2.072100    
 H   -4.941800       2.460000       1.376300    
 H   -4.846600       4.183200       1.426200    
 H   -5.422400      -3.985600      -1.674600    
 H    6.395300      -2.498900      -2.126800    
 H    6.775000     -0.8213000      -1.759900    
 H    5.433700      -1.253900      -2.913000    


%chk=000130575-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130575

0 1
O 3.053069 -1.502282 1.161364
O -2.247665 -0.366021 -1.985204
O -0.336439 2.472265 1.522516
O -4.899283 -4.135416 -0.997678
O 5.245231 -1.536453 -0.472020
O -5.437900 -2.435038 0.495272
O -2.773364 4.340618 -0.571698
N -1.077473 1.774359 -0.570455
N -2.927670 -1.236704 0.069262
N 0.306689 4.756602 -0.502378
N -4.043847 3.765610 1.279161
C -2.305501 1.157217 -0.071424
C -3.143698 -2.590413 -0.440913
C 0.821180 3.362785 -0.484403
C 2.208942 3.345748 0.206335
C -2.210662 -3.667117 0.233091
C -2.480840 -0.217359 -0.745214
C -3.571880 2.023928 -0.409834
C -0.209324 2.470561 0.253942
C 3.017458 2.072989 0.007424
C -0.787523 -3.166167 0.428969
C 2.653313 0.861737 0.649878
C -4.604489 -2.993737 -0.250099
C 4.175678 2.064269 -0.807083
C 3.405472 -0.311758 0.464098
C -0.067475 -2.555082 -0.629979
C -0.165344 -3.258420 1.699878
C -3.426981 3.468811 0.078535
C 1.786793 -2.063334 0.873551
C 4.569798 -0.316322 -0.352584
C 1.209395 -2.002475 -0.416889
C 1.119388 -2.720587 1.928882
C 4.948504 0.893720 -0.984795
C 6.470184 -1.544423 -1.275226
H -2.188791 1.068545 1.024275
H -2.926964 -2.548147 -1.523376
H 0.930440 3.022506 -1.532759
H 2.037372 3.525487 1.286802
H 2.764495 4.211690 -0.196389
H -2.634969 -3.957977 1.213548
H -2.251062 -4.566702 -0.409287
H -0.936208 1.760727 -1.583942
H -4.468212 1.536167 0.017004
H -3.684617 2.050887 -1.507787
H -3.087531 -1.060498 1.062756
H 1.781834 0.830143 1.313552
H 0.326732 5.164623 0.442952
H -0.651064 4.819941 -0.882365
H 4.486697 2.989124 -1.307077
H -0.516260 -2.472325 -1.626735
H -0.698817 -3.737347 2.530407
H 1.744940 -1.510000 -1.234012
H 1.596026 -2.770553 2.912205
H 5.839212 0.931290 -1.619196
H -4.545560 3.064846 1.821190
H -3.923080 4.699645 1.671185
H -5.843086 -4.409721 -0.838680
H 6.841334 -2.577859 -1.215256
H 7.227319 -0.850126 -0.861506
H 6.264185 -1.282377 -2.331694


