%chk=000021651.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021651

0 1
 O   -2.383300      -1.309700     -0.6486000    
 O   -2.980800       1.385500     -0.9372000    
 O    2.620600      -1.407800      0.2349000    
 O    5.092800     -0.6095000     -4.4700000E-02
 O    5.488700       1.387400       1.057500    
 N    1.648900       2.501400     -0.2047000    
 C   -3.728500      -3.143000      0.1850000    
 C   -5.097700       2.015900      5.6100000E-02
 C   -1.402300     -0.3698000     -0.5411000    
 C   -1.702700      0.9850000     -0.6858000    
 C   -2.610900      -2.140900      0.4875000    
 C   -3.586100       2.256000      1.6400000E-02
 C   0.9159000      0.1860000     -0.1741000    
 C   0.6237000       1.555300     -0.3190000    
 C  -9.2699997E-02 -0.7749000     -0.2850000    
 C  -0.6946000       1.944600     -0.5754000    
 C   -3.358100      -4.053600     -0.9876000    
 C   -4.046500      -3.976500       1.424500    
 C   -5.769900       3.006200       1.004600    
 C   -5.423100      0.5790000      0.4697000    
 C    2.320300     -0.2283000      9.9900000E-02
 C    3.343300      0.8531000      0.2036000    
 C    2.937800       2.119900      4.5899998E-02
 C    4.760400      0.6033000      0.4675000    
 C    6.458000      -1.000000      0.1357000    
 C    6.666900      -2.364500     -0.4858000    
 H   -4.628900      -2.587600     -0.1051000    
 H   -5.502000       2.166000     -0.9530000    
 H   -2.898500      -1.508100       1.336500    
 H   -1.699600      -2.686500      0.7593000    
 H   -3.380800       3.290400     -0.2839000    
 H   -3.159000       2.097600       1.016000    
 H   0.1453000      -1.830800     -0.1922000    
 H  -0.9295000       2.999600     -0.6972000    
 H   -3.191500      -3.474200      -1.901500    
 H   -2.446300      -4.622200     -0.7755000    
 H   -4.162400      -4.768400      -1.192200    
 H   -3.177100      -4.560000       1.746200    
 H   -4.350700      -3.333700       2.257200    
 H   -4.867000      -4.673800       1.224400    
 H   -6.855600       2.863200       1.011300    
 H   -5.571300       4.037500      0.6946000    
 H   -5.406100       2.884300       2.030600    
 H   -6.506100      0.4284000      0.5326000    
 H   -4.990100      0.3374000       1.446200    
 H   -5.035700     -0.1352000     -0.2627000    
 H    1.443400       3.485900     -0.3093000    
 H    3.612100       2.967200      0.1012000    
 H    6.687200      -1.041500       1.206500    
 H    7.114200     -0.2679000     -0.3482000    
 H    7.702200      -2.695100     -0.3652000    
 H    6.003300      -3.103500     -2.4300000E-02
 H    6.424400      -2.342800      -1.553400    


%chk=000021651-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021651

0 1
O -2.541340 -1.545965 0.202509
O -3.251059 0.991897 0.070563
O 2.621731 -1.620426 0.117707
O 5.231879 -0.665610 0.059091
O 5.537546 1.634339 -0.079059
N 1.479640 2.380452 -0.053311
C -3.497685 -3.778257 0.319396
C -5.254085 2.365305 0.069127
C -1.491351 -0.633283 0.135095
C -1.881415 0.755548 0.069629
C -2.187168 -2.980513 0.260271
C -3.718577 2.391550 0.029460
C 0.877093 0.033773 0.066718
C 0.477688 1.393134 0.007660
C -0.129996 -0.964743 0.129961
C -0.895298 1.756405 0.008470
C -4.355298 -3.546459 -0.944719
C -3.172997 -5.277323 0.523476
C -5.795839 3.803579 -0.107320
C -5.768821 1.715703 1.372949
C 2.316285 -0.383180 0.066165
C 3.276631 0.744274 0.001739
C 2.809907 2.057611 -0.055346
C 4.762501 0.634312 -0.011399
C 6.719158 -0.818223 0.047017
C 6.993659 -2.315717 0.138498
H -4.063933 -3.414031 1.200169
H -5.592311 1.749293 -0.787865
H -1.566149 -3.166756 1.160574
H -1.598852 -3.249676 -0.642566
H -3.354710 2.872985 -0.902706
H -3.312978 2.942319 0.905734
H 0.223788 -1.998959 0.175542
H -1.178543 2.812653 -0.040439
H -4.559780 -2.471458 -1.085914
H -3.832346 -3.920916 -1.846385
H -5.319927 -4.080845 -0.866974
H -2.589901 -5.676749 -0.328626
H -2.588997 -5.448574 1.447319
H -4.104289 -5.866926 0.596801
H -6.900331 3.800525 -0.104886
H -5.461478 4.256082 -1.060068
H -5.462575 4.458470 0.720986
H -6.871866 1.647246 1.365441
H -5.473074 2.317309 2.254790
H -5.355625 0.699978 1.492923
H 1.201848 3.361881 -0.096615
H 3.531986 2.878320 -0.104473
H 7.136746 -0.253734 0.900837
H 7.109637 -0.367745 -0.883959
H 8.083874 -2.499883 0.130111
H 6.572180 -2.734097 1.068039
H 6.538814 -2.848595 -0.713437


