%chk=000021391.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021391

0 1
 O    4.977500       1.735200      0.1015000    
 N   -1.270200      0.1941000      0.3884000    
 N   0.2217000      -3.223100      0.1906000    
 N   -1.420900       2.285200     -0.3496000    
 C  -0.6812000      -1.045400      0.8456000    
 C  -0.3934000      -1.999900     -0.3097000    
 C   -2.612600      0.4367000      0.2478000    
 C  -0.6002000       1.327200      1.9500000E-02
 C    1.482300      -2.925000      0.8729000    
 C   0.4483000      -4.171000     -0.9020000    
 C   -2.680500       1.748400     -0.2140000    
 C   0.8417000       1.432500      4.0800001E-02
 C   -3.738800     -0.3542000      0.4777000    
 C    2.078900      -4.195800       1.446600    
 C  -0.8591000      -4.477800      -1.606900    
 C   -3.938500       2.321100     -0.4665000    
 C   -4.982600      0.2317000      0.2209000    
 C   -5.082800       1.545500     -0.2428000    
 C    1.487700       1.882500       1.190100    
 C    1.579600       1.083800      -1.088200    
 C    2.878800       1.984400       1.210400    
 C    2.970600       1.185500      -1.067700    
 C    3.620300       1.635900      8.1500001E-02
 C    5.673400       1.362500      -1.087000    
 H   0.2027000     -0.7519000       1.414100    
 H   -1.371100      -1.501300       1.566200    
 H   -1.360100      -2.199000     -0.7840000    
 H   0.2386000      -1.519400      -1.066200    
 H    1.332000      -2.282500       1.743300    
 H    2.205800      -2.431300      0.2122000    
 H   0.8114000      -5.130000     -0.5189000    
 H    1.183600      -3.799000      -1.626400    
 H   -3.666100      -1.375300      0.8345000    
 H    2.877600      -3.938900       2.152300    
 H    2.539000      -4.827900      0.6808000    
 H    1.337700      -4.784400       1.998500    
 H  -0.7325000      -5.365800      -2.237200    
 H   -1.176300      -3.672300      -2.276700    
 H   -1.666800      -4.698500     -0.9001000    
 H   -4.027000       3.340900     -0.8271000    
 H   -5.888000     -0.3474000      0.3848000    
 H   -6.063700       1.973400     -0.4334000    
 H   0.9233000       2.157400       2.078000    
 H    1.086700      0.7343000      -1.992300    
 H    3.379300       2.335500       2.108700    
 H    3.484400      0.8988000      -1.978900    
 H    5.412100       2.014300      -1.927500    
 H    5.528200      0.3028000      -1.322800    
 H    6.741900       1.503300     -0.8936000    


%chk=000021391-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021391

0 1
O 5.259084 2.073419 0.370383
N -1.112090 0.169085 0.346644
N 0.103753 -3.429060 0.144824
N -1.173526 2.167875 -0.790862
C -0.605375 -1.135263 0.813025
C -0.447132 -2.148322 -0.352069
C -2.457436 0.389654 -0.000555
C -0.379213 1.272606 -0.159736
C 1.592882 -3.433118 0.191468
C -0.468053 -4.626373 -0.527635
C -2.477408 1.642447 -0.701335
C 1.078055 1.448181 -0.019361
C -3.626229 -0.367889 0.224248
C 2.161632 -4.396003 1.250877
C -1.912154 -4.929880 -0.085158
C -3.700539 2.164591 -1.182068
C -4.836951 0.168568 -0.264853
C -4.874072 1.416113 -0.956390
C 1.787406 1.144249 1.178300
C 1.800822 2.012702 -1.101437
C 3.171797 1.363248 1.274190
C 3.190192 2.237807 -1.020072
C 3.882251 1.902080 0.171524
C 6.035728 2.654194 -0.728606
H 0.365039 -0.997802 1.311443
H -1.303605 -1.548857 1.561091
H -1.437786 -2.323277 -0.807420
H 0.193335 -1.690050 -1.143198
H 1.927602 -2.406402 0.432766
H 2.026653 -3.673268 -0.811941
H 0.166739 -5.492150 -0.265628
H -0.425268 -4.528684 -1.641859
H -3.610124 -1.324442 0.758328
H 3.266079 -4.340240 1.268363
H 1.884064 -5.446074 1.047424
H 1.776944 -4.131273 2.251155
H -2.289364 -5.836804 -0.593514
H -2.601922 -4.101414 -0.330649
H -1.948546 -5.093585 1.006006
H -3.720750 3.121746 -1.712020
H -5.770089 -0.384021 -0.107924
H -5.836113 1.796120 -1.317450
H 1.248126 0.786144 2.062053
H 1.250774 2.283122 -2.008284
H 3.719995 1.144594 2.195378
H 3.714166 2.671501 -1.876905
H 5.680248 3.672737 -0.977626
H 5.994159 2.014743 -1.631683
H 7.068919 2.702524 -0.355055


