%chk=000048145.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048145

0 1
 O   -4.324100     -6.6299997E-02 -0.2518000    
 N    5.567300      0.7875000     -2.2000000E-02
 N    1.952000     -0.1008000     -0.1646000    
 N    1.566900      -2.457100     -0.2926000    
 C    4.119900      0.9935000     -5.7100002E-02
 C    3.396700     -0.3417000     -0.1614000    
 C   -4.762700       1.104600      0.4356000    
 C  -0.2946000     -0.8486000     -0.2325000    
 C   -2.988000     -0.3251000     -0.2443000    
 C    1.178300      -1.134600     -0.2270000    
 C    5.935200     -6.4000003E-02   1.108600    
 C    6.264600       2.070700      5.6400001E-02
 C  -0.7264000      0.3315000     -0.7839000    
 C   -1.141800      -1.780300      0.3135000    
 C   -2.095600      0.5978000     -0.7898000    
 C   -2.511100      -1.514100      0.3073000    
 C   -5.432200       2.045100     -0.5547000    
 C   -5.704300      0.7020000       1.560300    
 H    3.852400       1.606200     -0.9277000    
 H    3.772100       1.537800      0.8315000    
 H    3.700200     -0.8563000      -1.081800    
 H    3.620100     -0.9815000      0.6978000    
 H   -3.917500       1.635700      0.8947000    
 H    5.672100      -1.111900      0.9347000    
 H    5.491900      0.2733000       2.052800    
 H    7.024300     -7.1199998E-02   1.241200    
 H    7.349800       1.923000      2.2600001E-02
 H    6.019100       2.620000      0.9726000    
 H    6.009200       2.701100     -0.8028000    
 H  -5.0999999E-02   1.057300      -1.225800    
 H  -0.7976000      -2.701800      0.7708000    
 H   -2.450000       1.523000      -1.234900    
 H   -3.201400      -2.233900      0.7387000    
 H   -5.785900       2.955700     -6.1500002E-02
 H   -4.739500       2.329700      -1.353100    
 H   -6.284800       1.557000      -1.039700    
 H   -6.064100       1.575700       2.112100    
 H   -5.197100      3.0700000E-02   2.261500    
 H   -6.568300      0.1535000       1.169200    
 H    2.544800      -2.724900     -0.2873000    
 H   0.9056000      -3.215700     -0.4181000    


%chk=000048145-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048145

0 1
O -4.445302 -0.190347 0.510738
N 5.700068 0.760791 -0.047689
N 2.030470 -0.166394 0.109173
N 1.550349 -2.404728 -0.632803
C 4.237308 0.904272 0.149760
C 3.472305 -0.410244 -0.099443
C -5.042228 1.175848 0.564095
C -0.284026 -0.892058 0.004178
C -3.063253 -0.336052 0.330637
C 1.180705 -1.134235 -0.172168
C 6.367552 0.053143 1.063785
C 6.361062 2.047810 -0.342232
C -0.758240 0.441362 0.075832
C -1.232441 -1.946347 0.113287
C -2.127917 0.729225 0.232710
C -2.603387 -1.675695 0.272698
C -5.174692 1.751112 -0.857033
C -6.392075 0.987250 1.263462
H 3.858325 1.652298 -0.570177
H 3.976764 1.279663 1.170523
H 3.707824 -0.753408 -1.134653
H 3.845837 -1.200351 0.593372
H -4.387754 1.819823 1.187144
H 5.914748 -0.941888 1.215151
H 6.307037 0.608607 2.035517
H 7.435261 -0.096906 0.821184
H 7.429187 1.874221 -0.568676
H 6.306144 2.783107 0.501644
H 5.895443 2.511700 -1.229835
H -0.018707 1.245472 0.010504
H -0.907914 -2.993854 0.119404
H -2.449288 1.773905 0.276928
H -3.335201 -2.483259 0.371084
H -5.607413 2.767751 -0.818758
H -4.198150 1.810022 -1.367227
H -5.841209 1.111012 -1.461539
H -6.912773 1.957080 1.360157
H -6.251474 0.559536 2.270580
H -7.031880 0.301072 0.681231
H 2.533312 -2.638682 -0.744523
H 0.860120 -3.059031 -0.990521


