%chk=000088075.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088075

0 1
 O   -6.466100      0.2421000      0.2292000    
 N    5.029900      0.3016000     -0.1964000    
 N  -0.5167000      0.2927000      0.5775000    
 N   -1.103500      0.1752000     -0.5240000    
 N   -5.193500      0.2211000      4.8799999E-02
 C    3.631400      0.2851000     -7.9999998E-04
 C    2.955400     -0.9155000      0.2161000    
 C    2.925900       1.488100     -2.5200000E-02
 C    1.573800     -0.9132000      0.4086000    
 C   0.8684000      0.2900000      0.3843000    
 C    1.544400       1.490600      0.1675000    
 C    3.686200      -2.218400      0.2486000    
 C    5.886900       1.040300      0.7081000    
 C    5.624200     -0.4312000      -1.295500    
 C   -3.182000      -1.009300     -0.1096000    
 C   -2.495300      0.1778000     -0.3293000    
 C   -4.555600     -0.9569000      7.9999998E-02
 C   -3.178400       1.387000     -0.3570000    
 C   -2.483500      -2.325800     -6.9499999E-02
 C   -4.552000       1.378700     -0.1614000    
 H    3.435700       2.432200     -0.1989000    
 H    1.040500      -1.846100      0.5768000    
 H    1.003400       2.433000      0.1461000    
 H    3.908300      -2.564100     -0.7653000    
 H    4.609500      -2.147900      0.8327000    
 H    3.082700      -2.995300      0.7325000    
 H    5.826200       2.115200      0.5087000    
 H    6.934000      0.7382000      0.5962000    
 H    5.604000      0.8597000       1.750900    
 H    6.399800      0.1755000      -1.776300    
 H    4.891800     -0.6821000      -2.071000    
 H    6.097700      -1.351900     -0.9406000    
 H   -5.177100      -1.822400      0.2593000    
 H   -2.659000       2.324800     -0.5275000    
 H   -1.864400      -2.463800     -0.9622000    
 H   -1.851500      -2.395200      0.8216000    
 H   -3.194100      -3.159200     -3.9500002E-02
 H   -5.161400       2.270100     -0.1664000    


%chk=000088075-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088075

0 1
O -6.676784 -0.683793 0.901460
N 5.173643 0.024998 -0.386820
N -0.396326 -0.421207 0.667213
N -1.250815 -0.123468 -0.299084
N -5.375090 -0.556247 0.635668
C 3.789734 -0.089568 -0.124836
C 3.293572 -0.462901 1.177507
C 2.843209 0.229412 -1.155937
C 1.901341 -0.557566 1.357945
C 0.967134 -0.276367 0.321860
C 1.464438 0.138365 -0.948721
C 4.205660 -0.649129 2.380491
C 5.635455 0.855513 -1.509575
C 6.117530 -1.054560 -0.035220
C -3.591234 0.025618 -0.937677
C -2.608677 -0.283215 0.061977
C -4.945726 -0.121486 -0.618665
C -3.065330 -0.726986 1.340785
C -3.191307 0.503969 -2.316893
C -4.421008 -0.857205 1.612241
H 3.211794 0.515815 -2.145888
H 1.495612 -0.822242 2.341413
H 0.751766 0.360551 -1.748628
H 4.567100 -1.689807 2.495243
H 5.092169 0.005905 2.311873
H 3.662860 -0.396224 3.307323
H 5.575351 0.335845 -2.492663
H 6.693432 1.125266 -1.338308
H 5.050369 1.787762 -1.565326
H 6.404543 -1.628743 -0.943320
H 5.661295 -1.760743 0.669992
H 7.040650 -0.645461 0.418037
H -5.758850 0.088834 -1.314635
H -2.325777 -0.965135 2.109624
H -2.617356 1.444954 -2.251796
H -2.530426 -0.231281 -2.807895
H -4.076460 0.670544 -2.953965
H -4.841491 -1.189321 2.562297


