%chk=000055365.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055365

0 1
 O    3.655300     -0.7120000     -2.0199999E-02
 O  -0.9415000      0.6608000      0.1713000    
 O    3.184900      -2.776600     -0.7935000    
 O  -0.9266000     -0.6364000       2.088800    
 N   -4.606000      0.3152000     -6.2600002E-02
 C    3.182400      0.6173000      0.2927000    
 C    4.353900       1.412600      0.8730000    
 C    2.888700       1.386600      -1.001400    
 C    5.209000       1.774300     -0.3400000    
 C    4.269000       1.753300      -1.544400    
 C    2.016100      0.5170000       1.262800    
 C   0.9973000     -0.4359000      0.7192000    
 C    1.336600      -1.469100     -7.1800001E-02
 C    2.787500      -1.711300     -0.3313000    
 C  -0.3977000     -0.1670000       1.096800    
 C   0.4076000      -2.461600     -0.7112000    
 C   -2.308000       1.018400      0.4027000    
 C   -3.202900      5.0000002E-04 -0.2862000    
 C   -5.468700     -0.6884000     -0.6907000    
 C   -4.926200       1.649300     -0.5763000    
 C   -5.163300      -2.060700     -0.1843000    
 C   -6.347400       2.013700     -0.2932000    
 H    4.936600      0.8390000       1.601200    
 H    4.000900       2.331600       1.356700    
 H    2.325900       2.303500     -0.7882000    
 H    2.331100      0.8048000      -1.741900    
 H    6.008200       1.037100     -0.4792000    
 H    5.685100       2.751700     -0.2121000    
 H    4.248500       2.717700      -2.062000    
 H    4.607800       1.001300      -2.266500    
 H    1.578200       1.507700       1.433500    
 H    2.354200      0.1362000       2.235000    
 H   0.5521000      -2.471900      -1.796800    
 H  -0.6453000      -2.230700     -0.5255000    
 H   0.5967000      -3.468300     -0.3241000    
 H   -2.523600       1.108700       1.474700    
 H   -2.395400       2.016400     -3.3300001E-02
 H   -2.956000     -4.7499999E-02  -1.355500    
 H   -2.937100     -0.9754000      0.1329000    
 H   -6.517800     -0.5025000     -0.4384000    
 H   -5.385500     -0.6677000      -1.784800    
 H   -4.338000       2.417700     -6.7400001E-02
 H   -4.719200       1.734000      -1.650600    
 H   -5.965800      -2.749100     -0.4746000    
 H   -5.096200      -2.093700      0.9090000    
 H   -4.242500      -2.475100     -0.6076000    
 H   -6.498400       3.085400     -0.4688000    
 H   -6.624300       1.819100      0.7490000    
 H   -7.056600       1.496800     -0.9474000    


%chk=000055365-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055365

0 1
O 3.753624 -0.663252 -0.926260
O -1.298971 0.438200 -1.203537
O 3.258938 -1.287179 -3.058594
O -0.785984 0.427255 1.068165
N -4.927649 -0.046264 -0.180876
C 3.342132 0.113099 0.321142
C 4.403139 -0.272612 1.388005
C 3.581287 1.618856 0.038737
C 5.401192 0.923704 1.485584
C 5.106468 1.789470 0.230086
C 1.907680 -0.290493 0.666850
C 0.968221 -0.103898 -0.517114
C 1.426488 -0.305584 -1.801785
C 2.856455 -0.773255 -1.987700
C -0.426472 0.267970 -0.132007
C 0.640632 -0.176942 -3.087480
C -2.711416 0.802610 -0.848939
C -3.531935 -0.448502 -0.471827
C -5.313339 -0.203799 1.245030
C -5.932227 -0.556513 -1.149926
C -4.530410 0.729618 2.188625
C -7.192814 0.325724 -1.242015
H 4.903109 -1.199613 1.059871
H 3.916688 -0.482476 2.357718
H 3.036643 2.210531 0.801684
H 3.216613 1.931718 -0.954154
H 6.451670 0.588637 1.529081
H 5.203526 1.512897 2.401126
H 5.405825 2.844625 0.355283
H 5.639170 1.383010 -0.649046
H 1.540611 0.299638 1.523541
H 1.889912 -1.351507 0.990749
H 0.242950 0.845795 -3.207646
H -0.237463 -0.845323 -3.086405
H 1.285748 -0.432484 -3.941538
H -2.701554 1.521200 -0.013439
H -3.102942 1.275604 -1.762434
H -3.489054 -1.176180 -1.306650
H -3.064183 -0.933855 0.407022
H -6.390227 0.027593 1.330728
H -5.184224 -1.264660 1.581070
H -5.450369 -0.578618 -2.145386
H -6.230704 -1.610396 -0.916733
H -4.858623 0.574852 3.233326
H -4.710051 1.785681 1.918918
H -3.441811 0.542682 2.148574
H -7.874276 -0.061734 -2.022166
H -6.912783 1.362550 -1.498027
H -7.755641 0.348420 -0.291733


