%chk=000056759.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056759

0 1
 O    2.054600     -0.5775000      -1.202000    
 O   2.3800001E-02  -2.351800     -0.4463000    
 O    1.274000       2.027500       1.739400    
 N   -2.936400       1.783000     -9.1100000E-02
 N   0.7532000       1.569000     -0.4741000    
 C   -3.480000       1.913500      -1.442800    
 C   -3.931600       1.003600      0.6447000    
 C   -4.952400       2.203900      -1.191900    
 C   -5.248400       1.609000      0.1814000    
 C   -1.621800       1.158600     -7.8800000E-02
 C  -0.5533000       2.168600     -0.4706000    
 C    1.572100       1.547500      0.6488000    
 C    2.904200      0.9132000      0.4748000    
 C    3.090100     -0.1215000     -0.4422000    
 C   -1.952700      -2.653800      0.8708000    
 C   -1.322300      -2.802100     -0.5067000    
 C    3.976700       1.364400       1.244000    
 C   -3.400500      -3.135900      0.8827000    
 C    2.089600      -1.949800      -1.587500    
 C   0.6688000      -2.466100      -1.709000    
 C    4.348700     -0.7047000     -0.5897000    
 C    5.235100      0.7811000       1.096500    
 C   -4.012800      -3.026300       2.269900    
 C    5.421200     -0.2534000      0.1797000    
 H   -3.011600       2.723500      -2.010200    
 H   -3.381900      0.9824000      -2.015800    
 H   -3.896400     -5.7000000E-02  0.3685000    
 H   -3.807400       1.088000       1.728800    
 H   -5.139900       3.284000      -1.176100    
 H   -5.586200       1.764400      -1.968900    
 H   -6.042000      0.8564000      0.1353000    
 H   -5.574900       2.400900      0.8658000    
 H   -1.579500      0.2742000     -0.7264000    
 H   -1.392200      0.8088000      0.9365000    
 H  -0.5552000       3.021900      0.2178000    
 H  -0.7196000       2.552000      -1.482600    
 H    1.080400       1.173300      -1.349800    
 H   -1.896100      -1.607800       1.192800    
 H   -1.360000      -3.220600       1.599900    
 H   -1.878300      -2.206700      -1.240300    
 H   -1.342500      -3.853300     -0.8176000    
 H   -3.996700      -2.548200      0.1754000    
 H   -3.447200      -4.180700      0.5540000    
 H    3.854500       2.172700       1.960300    
 H    2.605500      -2.043600      -2.549100    
 H    2.593500      -2.563500     -0.8296000    
 H   0.1200000      -1.864200      -2.442800    
 H   0.6764000      -3.513200      -2.031000    
 H    4.547700      -1.490000      -1.312800    
 H    6.070900       1.134200       1.693300    
 H   -3.458600      -3.633100       2.993000    
 H   -5.049400      -3.377000       2.255500    
 H   -4.010200      -1.988300       2.618000    
 H    6.403100     -0.7020000      5.9900001E-02


%chk=000056759-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056759

0 1
O 2.330924 -0.999549 -0.874096
O 0.144798 -2.781226 -0.637944
O 1.469245 3.056906 0.006014
N -2.932042 2.082681 0.422990
N 0.574291 0.987612 -0.559624
C -3.877058 1.218591 -0.330372
C -3.631417 2.432496 1.685401
C -5.292139 1.778834 0.009426
C -5.060823 2.761539 1.204667
C -1.574934 1.539061 0.598353
C -0.781548 1.523064 -0.731842
C 1.623494 1.804603 -0.193141
C 2.983839 1.159146 0.000447
C 3.327892 -0.198028 -0.281605
C -2.210659 -2.971714 -0.087988
C -1.147534 -3.269579 -1.148346
C 3.993396 1.994914 0.539693
C -3.629963 -3.385023 -0.542976
C 2.515837 -2.454112 -0.949576
C 1.247024 -3.024151 -1.566683
C 4.622886 -0.694834 0.001703
C 5.290389 1.516443 0.812920
C -4.699333 -3.098868 0.533306
C 5.600449 0.163444 0.549735
H -3.659818 1.245394 -1.413042
H -3.796312 0.148613 0.003127
H -3.650299 1.572712 2.405577
H -3.130052 3.281859 2.182105
H -5.737123 2.305459 -0.851769
H -5.977548 0.957819 0.285583
H -5.809816 2.640939 2.006702
H -5.099288 3.805991 0.850829
H -1.593895 0.500772 1.026782
H -1.025215 2.183574 1.307769
H -0.712671 2.558702 -1.105713
H -1.304025 0.906431 -1.486443
H 0.762018 -0.014499 -0.689261
H -2.190487 -1.887941 0.140638
H -1.943544 -3.500518 0.847136
H -1.390663 -2.757894 -2.107417
H -1.084257 -4.363451 -1.349067
H -3.890937 -2.843170 -1.475008
H -3.639661 -4.465276 -0.795233
H 3.707692 3.033504 0.737924
H 3.385708 -2.697901 -1.592382
H 2.676488 -2.863304 0.066907
H 1.049055 -2.537478 -2.546809
H 1.386214 -4.115682 -1.738363
H 4.877638 -1.738385 -0.204902
H 6.047422 2.186406 1.232783
H -4.479661 -3.649242 1.467247
H -5.706466 -3.399247 0.191245
H -4.732103 -2.020297 0.779121
H 6.600693 -0.228637 0.765274


