%chk=000055172.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055172

0 1
 O  -0.7067000       1.239000      0.7158000    
 O   0.8192000       1.612900     -0.9707000    
 N   -3.453300       1.335300     -2.8700000E-02
 N    2.099600     -0.7193000     -0.4388000    
 C   -2.817300       2.379800      0.7603000    
 C   -4.695600      0.8893000      0.6068000    
 C   -3.722500       1.805200      -1.389900    
 C   0.9164000     -0.4318000      0.3460000    
 C   -1.340000       2.487200      0.4174000    
 C  -8.9599997E-02  -1.548000      0.1835000    
 C   0.3717000      0.9230000     -6.3400000E-02
 C   -4.442400      0.3965000       2.021400    
 C   -4.323400      0.7012000      -2.243100    
 C    3.328100     -0.1245000     -0.2153000    
 C  -4.3099999E-02  -2.657200       1.028200    
 C   -1.064800      -1.469000     -0.8108000    
 C  -0.9715000      -3.687300      0.8785000    
 C   -1.993300      -2.499200     -0.9603000    
 C    4.420700     -0.4578000      -1.016000    
 C    3.474700      0.8086000      0.8112000    
 C   -1.946600      -3.608300     -0.1156000    
 C    5.659800      0.1417000     -0.7900000    
 C    4.713700       1.408100       1.037000    
 C    5.806200       1.074500      0.2364000    
 H   -3.313400       3.349900      0.6297000    
 H   -2.830900       2.167900       1.832100    
 H   -5.114900      3.4000002E-02  6.7100003E-02
 H   -5.456400       1.679800      0.6222000    
 H   -4.389700       2.676500      -1.396100    
 H   -2.790700       2.109200      -1.878100    
 H    1.161500     -0.3767000       1.414800    
 H   -1.192200       2.793000     -0.6233000    
 H  -0.8773000       3.251100       1.052900    
 H    2.013200      -1.331200      -1.243600    
 H   -3.546600     -0.2312000       2.085300    
 H   -4.367800       1.211200       2.747900    
 H   -5.288900     -0.2199000       2.346500    
 H   -3.757700     -0.2310000      -2.162500    
 H   -5.371600      0.5045000      -1.998100    
 H   -4.302500       1.002700      -3.296600    
 H   0.7128000      -2.731600       1.805500    
 H   -1.115400     -0.6287000      -1.497200    
 H  -0.9348000      -4.551300       1.535500    
 H   -2.748200      -2.444100      -1.738700    
 H    4.320700      -1.183400      -1.819400    
 H    2.662600       1.110200       1.464100    
 H   -2.668400      -4.411200     -0.2334000    
 H    6.510500     -0.1178000      -1.413300    
 H    4.828700       2.135300       1.835600    
 H    6.770900       1.541500      0.4122000    


%chk=000055172-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055172

0 1
O -0.407363 1.537644 1.006703
O -0.139884 1.110736 -1.280885
N -3.298597 1.571745 0.048694
N 1.886759 -0.838925 -0.348841
C -2.682582 2.520256 0.998294
C -4.466211 0.848918 0.621189
C -3.583693 2.178391 -1.280575
C 0.680238 -0.530340 0.413532
C -1.192092 2.772560 0.725043
C -0.305485 -1.699223 0.328852
C 0.001361 0.775320 -0.086457
C -4.069852 -0.249697 1.625691
C -3.577952 1.147599 -2.424895
C 3.072206 -0.095604 -0.275681
C -0.525661 -2.525211 1.457191
C -0.974783 -1.991284 -0.887229
C -1.400093 -3.632159 1.374909
C -1.842828 -3.102461 -0.971466
C 4.181231 -0.466761 -1.092630
C 3.218243 1.011226 0.611619
C -2.058651 -3.925867 0.158263
C 5.394338 0.243061 -1.019093
C 4.444027 1.708195 0.678100
C 5.541575 1.336552 -0.130487
H -3.194683 3.519214 1.005350
H -2.775496 2.111008 2.019617
H -5.006051 0.376029 -0.218843
H -5.189397 1.559699 1.098713
H -4.555101 2.736027 -1.268200
H -2.796372 2.924746 -1.491600
H 0.939792 -0.362354 1.475377
H -0.998717 3.079624 -0.317446
H -0.793868 3.528583 1.422954
H 1.797862 -1.536929 -1.086671
H -3.404313 -0.984725 1.141897
H -3.539286 0.159864 2.504650
H -4.971730 -0.773433 1.995059
H -2.583536 0.674923 -2.488063
H -4.334026 0.355482 -2.273950
H -3.797938 1.642914 -3.389368
H -0.009494 -2.303742 2.398784
H -0.832793 -1.335529 -1.754220
H -1.564516 -4.263688 2.254968
H -2.356943 -3.320218 -1.914305
H 4.082750 -1.315863 -1.781188
H 2.383163 1.335950 1.240777
H -2.735542 -4.785056 0.092649
H 6.231815 -0.060262 -1.658295
H 4.536525 2.556017 1.367300
H 6.487144 1.885646 -0.074792


