%chk=000011695.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011695

0 1
 O   0.5012000       2.486300      0.5377000    
 N   -1.322900      0.2487000      0.4087000    
 N    2.094000      -1.179600     -8.1100002E-02
 C   0.1103000      0.1012000      0.6609000    
 C   0.6280000      -1.132900     -0.1042000    
 C    2.727200     -1.1100000E-02 -0.7259000    
 C   0.7808000       1.360900      0.1240000    
 C   -2.054800     -0.9284000      0.8972000    
 C   -1.572500      0.4734000      -1.022100    
 C    1.774500       1.166900     -0.9991000    
 C   0.3674000     -8.6000003E-03   2.168400    
 C   -3.561100     -0.7687000      0.6857000    
 C   -3.063000      0.6788000      -1.296500    
 C   -3.889200     -0.4925000     -0.7771000    
 C    3.891700      0.4434000      0.1623000    
 C    2.588300      -2.437500     -0.6391000    
 H   0.2727000      -2.048600      0.3835000    
 H   0.3314000      -1.197100      -1.152700    
 H    3.147900     -0.2937000      -1.700900    
 H   -1.915000      -1.077300       1.972200    
 H   -1.762600      -1.854000      0.3895000    
 H   -1.271100     -0.3560000      -1.666300    
 H   -1.082100       1.378900      -1.392800    
 H    1.206400      0.9836000      -1.918400    
 H    2.334400       2.097500      -1.144500    
 H   0.1318000     -0.9984000       2.573100    
 H    1.422800      0.1813000       2.398300    
 H  -0.2048000      0.7398000       2.730400    
 H   -3.933800      5.6600001E-02   1.305800    
 H   -4.081500      -1.675300       1.015500    
 H   -3.231200      0.8000000      -2.372800    
 H   -3.400800       1.605500     -0.8150000    
 H   -3.675000      -1.386300      -1.375900    
 H   -4.957600     -0.2781000     -0.8890000    
 H    4.615700     -0.3647000      0.3141000    
 H    4.428800       1.277700     -0.3021000    
 H    3.544500      0.7752000       1.146800    
 H    2.191600      -3.291700     -7.9099998E-02
 H    3.679400      -2.496100     -0.5616000    
 H    2.310700      -2.557600      -1.692500    


%chk=000011695-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000011695

0 1
O 0.679519 2.356826 0.715634
N -1.392567 0.068391 0.325945
N 2.239181 -1.126054 0.029789
C 0.076732 -0.039642 0.653997
C 0.767855 -1.268747 -0.028848
C 2.789788 -0.045308 -0.842383
C 0.811468 1.243080 0.148553
C -2.167929 -1.177010 0.572794
C -1.729435 0.648745 -0.999741
C 1.702243 1.048327 -1.073409
C 0.269744 -0.098302 2.189171
C -3.684732 -0.891592 0.551488
C -3.235139 0.982618 -1.081145
C -4.099874 -0.264718 -0.798399
C 4.057019 0.572587 -0.212175
C 2.959421 -2.404747 -0.113744
H 0.492713 -2.184519 0.525715
H 0.384154 -1.401577 -1.073561
H 3.061509 -0.465940 -1.844750
H -1.884464 -1.591420 1.555488
H -1.947554 -1.961752 -0.197649
H -1.469353 -0.044770 -1.844517
H -1.155317 1.581337 -1.140490
H 1.050835 0.738301 -1.915172
H 2.172422 2.009310 -1.339887
H -0.315609 -0.920355 2.636742
H 1.335065 -0.267359 2.423089
H -0.057603 0.855528 2.632498
H -3.926324 -0.193153 1.375393
H -4.236193 -1.834723 0.733439
H -3.461672 1.398704 -2.082104
H -3.458129 1.765590 -0.331536
H -3.955099 -1.008379 -1.610110
H -5.174025 0.000126 -0.791845
H 4.810897 -0.200330 0.020349
H 4.520583 1.299397 -0.904723
H 3.800665 1.092699 0.727340
H 2.596240 -3.124014 0.641302
H 4.039764 -2.257003 0.057934
H 2.835698 -2.868651 -1.125073


