%chk=000053533.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053533

0 1
 O    1.123600       2.083100     -7.1500003E-02
 O    3.192300       3.098800     -0.1790000    
 O   -2.073900      -2.993900     -0.3149000    
 O    7.080200     -0.6501000       1.683300    
 O    7.047900     -0.5345000     -0.5839000    
 O   -6.581300       1.248500      0.6941000    
 N    2.980600      0.7834000     -0.4334000    
 C    1.891800     -6.0800001E-02 -0.4131000    
 C    4.341900      0.3560000     -0.6356000    
 C   0.7912000      0.7423000     -0.1942000    
 C    1.788400      -1.427800     -0.5646000    
 C  -0.6189000      -1.163300     -0.2623000    
 C  -0.4823000      0.2198000     -0.1136000    
 C    2.522100       2.074500     -0.2283000    
 C    5.037300      2.0199999E-02  0.6772000    
 C   0.5072000      -1.980000     -0.4862000    
 C   -1.939700      -1.768200     -0.1851000    
 C   -3.176100     -0.9634000      4.9800001E-02
 C    6.475500     -0.4124000      0.4899000    
 C   -3.854600     -0.4679000      -1.039300    
 C   -3.587200     -0.7504000       1.345100    
 C   -5.009600      0.2831000     -0.8208000    
 C   -4.742300      6.0000003E-04   1.563700    
 C   -5.453400      0.5173000      0.4808000    
 C   -7.260800       1.745200     -0.4580000    
 H    4.368700     -0.4903000      -1.331400    
 H    4.880200       1.179300      -1.121600    
 H    2.651400      -2.060500     -0.7337000    
 H   -1.318500      0.8865000      5.9700001E-02
 H    4.504900     -0.7924000       1.184400    
 H    5.029500      0.8983000       1.333600    
 H   0.4035000      -3.056500     -0.6017000    
 H   -3.511800     -0.6490000      -2.053500    
 H   -3.036700      -1.151200       2.190700    
 H   -5.513400      0.6543000      -1.706700    
 H   -5.083200      0.1793000       2.579700    
 H    8.014300     -0.9280000       1.570600    
 H   -7.635600      0.9304000      -1.086600    
 H   -6.638200       2.450100      -1.019500    
 H   -8.133800       2.302600     -0.1030000    


%chk=000053533-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053533

0 1
O 1.571622 2.270814 -0.496347
O 3.788344 3.104358 -0.266349
O -2.105361 -2.429455 -1.721012
O 6.839543 -0.911486 2.454335
O 7.047400 -1.244493 0.163936
O -6.581527 1.278627 1.045877
N 3.302154 0.770845 -0.476783
C 2.116633 0.022908 -0.602990
C 4.672358 0.251834 -0.385014
C 1.050153 0.957795 -0.615211
C 1.863767 -1.355918 -0.731058
C -0.555827 -0.812165 -0.857436
C -0.285819 0.583958 -0.735936
C 3.012531 2.146963 -0.396696
C 5.048610 -0.105183 1.070322
C 0.515763 -1.751141 -0.866780
C -1.948091 -1.345139 -1.069394
C -3.135593 -0.614839 -0.527477
C 6.394211 -0.800795 1.134278
C -4.391945 -0.823335 -1.155861
C -3.087342 0.213526 0.632032
C -5.563247 -0.209464 -0.677351
C -4.249951 0.819399 1.132698
C -5.491702 0.619967 0.474256
C -7.898548 1.101460 0.421982
H 4.772306 -0.630464 -1.039212
H 5.352846 1.029559 -0.770010
H 2.670724 -2.094719 -0.735045
H -1.081820 1.331095 -0.773814
H 4.293838 -0.779837 1.519009
H 5.077944 0.797572 1.705562
H 0.259339 -2.806991 -0.997161
H -4.427897 -1.483763 -2.028630
H -2.142812 0.353302 1.167315
H -6.512554 -0.379455 -1.193607
H -4.228160 1.443415 2.030903
H 7.716881 -1.382743 2.472830
H -8.211719 0.040244 0.443425
H -7.900265 1.471969 -0.620840
H -8.585585 1.704773 1.032351


