%chk=000027114.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027114

0 1
 O    1.087500       1.473100       1.042800    
 O   -1.716500     -0.4498000      -1.848700    
 N    2.092900      -1.606500     -0.2131000    
 N    2.436000     -0.3182000      0.2407000    
 N   -1.159700     -0.2451000      0.4215000    
 N   -3.004700       2.502900     -0.7800000    
 C   0.1416000     -0.5663000      0.2491000    
 C   0.6996000      -1.682000     -0.2368000    
 C    1.258500      0.3475000      0.6040000    
 C   -1.612400      5.5900000E-02   1.796400    
 C    3.707400      0.2702000      2.6600000E-02
 C    0.000000      -2.911100     -0.7110000    
 C    2.895800      -2.738300      0.2396000    
 C   -2.041300     -0.2083000     -0.6860000    
 C   -3.458800      0.1243000     -0.4649000    
 C   -2.087500      -1.192900       2.510100    
 C    4.075500       1.425100      0.7239000    
 C    4.603000     -0.2992000     -0.8841000    
 C   -3.896200       1.439600     -0.5157000    
 C    5.326700       2.004500      0.5128000    
 C    5.854300      0.2800000      -1.094900    
 C   -4.340900     -0.9148000     -0.2049000    
 C    6.216200       1.431800     -0.3964000    
 C   -5.245200       1.722600     -0.3014000    
 C   -5.689800     -0.6319000      9.3000000E-03
 C   -6.141900      0.6869000     -3.8800001E-02
 H  -0.7978000      0.5090000       2.371100    
 H   -2.417500      0.7948000       1.774600    
 H   0.2195000      -3.086800      -1.768900    
 H   -1.086100      -2.845900     -0.5988000    
 H   0.3240000      -3.787800     -0.1411000    
 H    3.952400      -2.497500      0.3796000    
 H    2.839300      -3.553900     -0.4890000    
 H    2.524000      -3.108800       1.202100    
 H   -1.274900      -1.921400       2.604400    
 H   -2.431600     -0.9431000       3.518700    
 H   -2.908400      -1.688000       1.988700    
 H    3.424100       1.884500       1.460200    
 H    4.346300      -1.173300      -1.475700    
 H    5.611400       2.898000       1.060800    
 H    6.543900     -0.1607000      -1.809000    
 H   -4.001000      -1.946400     -0.1749000    
 H    7.190200       1.883300     -0.5610000    
 H   -5.611300       2.745600     -0.3361000    
 H   -6.388500      -1.438400      0.2115000    
 H   -7.192300      0.9070000      0.1277000    
 H   -2.021100       2.325500     -0.9306000    
 H   -3.350400       3.453100     -0.8085000    


%chk=000027114-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027114

0 1
O 0.698453 1.441197 0.698772
O -1.846222 -1.477386 -1.530770
N 2.097741 -1.750132 -0.034684
N 2.248664 -0.358181 0.286296
N -1.357996 -0.702882 0.616710
N -2.291270 2.153142 0.193351
C 0.038453 -0.930672 0.478676
C 0.741586 -2.078308 0.150475
C 0.957779 0.202548 0.535951
C -1.848660 -0.353092 1.980111
C 3.407238 0.369848 -0.128801
C 0.245806 -3.481797 -0.017289
C 3.180100 -2.661713 0.394519
C -2.184597 -0.767660 -0.531063
C -3.434218 0.059010 -0.524036
C -1.820731 -1.570365 2.925976
C 3.779880 1.520663 0.609333
C 4.151695 -0.022782 -1.270607
C -3.430492 1.464484 -0.202082
C 4.905241 2.268424 0.204783
C 5.287989 0.723345 -1.650117
C -4.623471 -0.545126 -1.008006
C 5.670966 1.869832 -0.916010
C -4.664919 2.179446 -0.327585
C -5.828924 0.170783 -1.120693
C -5.837664 1.545160 -0.767914
H -1.229765 0.468662 2.385824
H -2.878914 0.023372 1.880905
H 0.520910 -3.884710 -1.008135
H -0.852275 -3.474126 0.041156
H 0.643086 -4.162233 0.760043
H 4.149237 -2.289723 0.029835
H 2.994303 -3.649813 -0.054162
H 3.223729 -2.759044 1.497306
H -0.797996 -1.977825 3.022321
H -2.165402 -1.272674 3.933568
H -2.483809 -2.373053 2.556260
H 3.179564 1.826219 1.469660
H 3.818030 -0.876094 -1.870589
H 5.187143 3.162369 0.771592
H 5.861477 0.418716 -2.532534
H -4.573485 -1.599799 -1.301365
H 6.548658 2.450346 -1.219514
H -4.680811 3.249034 -0.081744
H -6.738456 -0.320081 -1.480368
H -6.763618 2.126740 -0.848863
H -1.355538 1.736155 0.273618
H -2.354193 3.158573 0.335787


