%chk=000052702.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052702

0 1
 O  -4.8000002E-03  -1.325000       1.140800    
 O    2.389500       1.248700      0.1097000    
 O    5.006300      0.8412000      0.6379000    
 N   0.7510000     -0.6073000     -0.9407000    
 N    4.224900     -0.1512000      3.0900000E-02
 C   -1.555600     -0.3118000     -0.3659000    
 C   -2.646300      -1.159600      0.2923000    
 C   -1.696500       1.166700      3.1000001E-03
 C   -4.041600     -0.6256000     -2.0500001E-02
 C   -3.094100       1.695300     -0.3087000    
 C   -4.177100      0.8477000      0.3520000    
 C  -0.2023000     -0.8137000      4.1600000E-02
 C    2.138500     -0.9803000     -0.7867000    
 C    2.908200      0.1749000     -0.1860000    
 H   -1.662400     -0.4154000      -1.454400    
 H   -2.515900      -1.176000       1.382400    
 H   -2.568000      -2.200700     -4.4399999E-02
 H  -0.9529000       1.764400     -0.5382000    
 H   -1.484600       1.308000       1.071300    
 H   -4.791500      -1.213300      0.5212000    
 H   -4.248800     -0.7521000      -1.090200    
 H   -3.247300       1.701400      -1.394900    
 H   -3.179800       2.733500      3.1500001E-02
 H   -5.165600       1.214300      5.3500000E-02
 H   -4.111100      0.9562000       1.441700    
 H   0.4845000     -0.1453000      -1.805200    
 H    2.539300      -1.213900      -1.777400    
 H    2.218800      -1.856800     -0.1361000    
 H    4.692700      -1.001900     -0.2614000    
 H    5.845300      0.7166000      0.1631000    


%chk=000052702-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052702

0 1
O -0.042404 -1.402424 1.272350
O 3.156263 0.604190 -1.796965
O 5.225515 1.020259 -0.156966
N 0.846618 -0.774734 -0.780729
N 4.234306 0.019037 0.129934
C -1.509636 -0.199421 -0.297790
C -2.700091 -1.172781 -0.084475
C -1.727677 1.112960 0.515301
C -4.048985 -0.502415 -0.434863
C -3.075222 1.779859 0.155381
C -4.258597 0.805901 0.364440
C -0.193835 -0.848660 0.138052
C 2.193129 -1.242689 -0.453901
C 3.207438 -0.141862 -0.754793
H -1.455720 0.064681 -1.376165
H -2.695508 -1.493396 0.974938
H -2.554761 -2.084468 -0.696183
H -0.890480 1.814847 0.333323
H -1.711227 0.855866 1.592481
H -4.877548 -1.209526 -0.236873
H -4.077284 -0.273252 -1.520830
H -3.053938 2.108164 -0.904823
H -3.214612 2.691007 0.768724
H -5.209139 1.288390 0.065334
H -4.344468 0.564077 1.443809
H 0.731658 -0.261680 -1.658028
H 2.462641 -2.133692 -1.056343
H 2.180593 -1.542437 0.609952
H 4.383198 -0.423541 1.035059
H 4.872575 1.396738 -1.027052


