%chk=000126727.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126727

0 1
 O   -2.369700     -0.5814000      -1.385000    
 N    1.440900      0.6035000      -1.344000    
 C    2.575100      0.2093000     -0.4966000    
 C   0.3565000      0.9549000     -0.4136000    
 C    2.523900       1.186900      0.6701000    
 C    1.060500       1.600100      0.7841000    
 C    2.487800      -1.271000     -9.5100001E-02
 C  -0.4734000     -0.2476000     -4.9300000E-02
 C    1.391400      -1.681200      0.8953000    
 C  -2.9500000E-02  -1.382200      0.5149000    
 C   -1.919000     -0.1869000     -0.3098000    
 C   -2.786500      0.3755000      0.8015000    
 C   -4.257900      0.4201000      0.4276000    
 H    3.503600      0.3493000      -1.061800    
 H  -0.2871000       1.698500     -0.8987000    
 H    3.127300       2.074400      0.4418000    
 H    2.907600      0.7648000       1.604200    
 H   0.6356000       1.295100       1.747000    
 H   0.9880000       2.693200      0.7290000    
 H    1.165500     -0.1401000      -1.982800    
 H    3.451000      -1.554100      0.3505000    
 H    2.393100      -1.882900      -1.002700    
 H    1.588200      -1.253200       1.885400    
 H    1.471600      -2.768400       1.027700    
 H  -0.7447000      -2.167100      0.7569000    
 H   -2.659900     -0.2480000       1.693100    
 H   -2.441700       1.389600       1.031000    
 H   -4.636900     -0.5826000      0.2037000    
 H   -4.848300      0.8332000       1.251100    
 H   -4.419600       1.044800     -0.4571000    


%chk=000126727-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126727

0 1
O -2.288063 1.540090 -0.656402
N 1.452106 0.437116 -1.419805
C 2.597388 -0.078251 -0.627193
C 0.512865 1.123375 -0.488740
C 2.879251 1.127431 0.312877
C 1.492185 1.822200 0.517897
C 2.316182 -1.409420 0.132904
C -0.493431 0.180230 0.195431
C 1.292766 -1.331351 1.298752
C -0.121703 -0.903301 0.952897
C -1.951618 0.507637 0.001379
C -3.037499 -0.405366 0.599795
C -4.464944 0.068012 0.272199
H 3.454398 -0.257842 -1.305487
H -0.076669 1.869909 -1.045769
H 3.580736 1.818548 -0.183739
H 3.339194 0.807932 1.266006
H 1.125763 1.728267 1.554765
H 1.557590 2.898640 0.288348
H 1.005142 -0.254077 -2.037202
H 3.273343 -1.783134 0.551580
H 1.972809 -2.167220 -0.600475
H 1.690199 -0.633049 2.067699
H 1.252837 -2.321826 1.790504
H -0.913887 -1.522313 1.396126
H -2.879683 -1.437247 0.226574
H -2.894720 -0.454768 1.698205
H -4.630715 0.098097 -0.818129
H -5.210236 -0.610698 0.724935
H -4.638185 1.088878 0.652467


