%chk=000035780.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035780

0 1
 O    1.773500      -1.676600      0.6614000    
 N   -3.571100      -1.252500     -0.4850000    
 N   -1.875100       4.322300      0.1072000    
 C   -2.641300      0.6054000      0.2964000    
 C   -1.637700     -0.4012000      0.2321000    
 C   -2.247200      -1.556800     -0.2611000    
 C   -2.462600       1.996900      0.7576000    
 C   -3.818700      5.2000001E-02 -0.1513000    
 C  -0.2649000     -0.4403000      0.5473000    
 C   -2.073800       2.961000     -0.3784000    
 C   -1.549800      -2.754400     -0.4556000    
 C   0.4455000      -1.631200      0.3579000    
 C  -0.1890000      -2.769300     -0.1360000    
 C    2.564700     -0.6228000      0.2386000    
 C    2.420400     -0.1464000      -1.052400    
 C    3.481200     -7.2600000E-02   1.117000    
 C    3.218600      0.9151000      -1.478900    
 C    4.279300      0.9889000      0.6905000    
 C    4.148100       1.482700     -0.6073000    
 H   -3.390900       2.349100       1.226900    
 H   -1.697800       2.030400       1.544300    
 H   -4.810500      0.4676000     -0.2635000    
 H   -4.259800      -1.899200     -0.8442000    
 H   0.2127000      0.4471000      0.9529000    
 H   -2.856900       2.968600      -1.145200    
 H   -1.152300       2.616500     -0.8625000    
 H   -2.043000      -3.640800     -0.8403000    
 H   0.3768000      -3.687200     -0.2780000    
 H   -1.561200       4.912900     -0.6617000    
 H   -1.127300       4.332400      0.7997000    
 H    1.721300     -0.5862000      -1.757600    
 H    3.584400     -0.4558000       2.127700    
 H    3.120400       1.296300      -2.491100    
 H    5.003200       1.430700       1.369000    
 H    4.770500       2.308300     -0.9398000    


%chk=000035780-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000035780

0 1
O 1.743774 -1.462907 0.760066
N -3.715711 -1.423183 -0.428409
N -2.047364 4.339839 0.000203
C -2.888012 0.601900 0.259103
C -1.800073 -0.363134 0.222871
C -2.347861 -1.624404 -0.210085
C -2.795515 2.059563 0.636117
C -4.033554 -0.085483 -0.144112
C -0.417537 -0.279056 0.534629
C -2.086126 2.929718 -0.436108
C -1.554122 -2.785041 -0.341153
C 0.365753 -1.436902 0.385433
C -0.181630 -2.677933 -0.044032
C 2.642081 -0.489335 0.263768
C 2.411025 0.266149 -0.911007
C 3.850544 -0.353651 0.986297
C 3.405932 1.167094 -1.353660
C 4.833736 0.549361 0.529903
C 4.617381 1.317191 -0.639878
H -3.800390 2.488088 0.802533
H -2.244193 2.166921 1.594250
H -5.053497 0.282282 -0.244131
H -4.375623 -2.133972 -0.734572
H 0.031995 0.654625 0.887389
H -2.665094 2.873224 -1.376572
H -1.081907 2.490097 -0.650321
H -1.978738 -3.741603 -0.664369
H 0.485561 -3.540561 -0.127296
H -1.777002 5.003917 -0.731532
H -1.515940 4.490414 0.864370
H 1.480390 0.144788 -1.473286
H 3.997948 -0.957828 1.886600
H 3.231535 1.748530 -2.266228
H 5.769535 0.654206 1.090287
H 5.382399 2.017986 -0.990469


