%chk=000104246.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104246

0 1
 O  -5.1000002E-03 -0.1936000     -0.4937000    
 O   -5.767800       2.366700      0.3605000    
 O    5.768400       2.366700      0.3563000    
 O   -6.328800      -2.933000     -3.0999999E-02
 O    6.332200      -2.933100     -2.8800000E-02
 N   -3.244600       2.262100     -0.1921000    
 N    3.244400       2.259700     -0.1927000    
 N  -0.6978000       1.775500      -1.298100    
 N   0.6847000       1.776000      -1.299300    
 C   -4.711100      0.2861000     -6.7000002E-02
 C    4.712600      0.2851000     -6.8200000E-02
 C   -4.868800      -1.097800     -0.1661000    
 C    4.871400      -1.098800     -0.1672000    
 C   -3.453400      0.8627000     -0.2813000    
 C    3.454400      0.8606000     -0.2824000    
 C   -2.359900      5.4400001E-02 -0.5932000    
 C    2.349400      5.6499999E-02 -0.5961000    
 C   -7.184600      0.5284000      0.4858000    
 C    7.185800      0.5293000      0.4853000    
 C   -7.342400     -0.8555000      0.3869000    
 C    7.344700     -0.8546000      0.3863000    
 C   -5.863300       1.149800      0.2625000    
 C    5.864000       1.149600      0.2615000    
 C   -6.190100      -1.719300      5.7399999E-02
 C    6.193300      -1.719200      5.6400001E-02
 C   -3.768700      -1.905200     -0.4792000    
 C    3.772000      -1.907100     -0.4802000    
 C   -2.517100      -1.326500     -0.6920000    
 C    2.519900      -1.329500     -0.6928000    
 C   -1.044100      0.6119000     -0.8224000    
 C    1.045100      0.6077000     -0.8218000    
 C   -8.284700       1.336100      0.7984000    
 C    8.285100       1.337600      0.7989000    
 C   -8.600200      -1.432000      0.6004000    
 C    8.602800      -1.430100      0.6010000    
 C   -9.536300      0.7575000       1.010700    
 C    9.537000      0.7600000       1.011900    
 C   -9.693800     -0.6236000      0.9119000    
 C    9.695500     -0.6209000      0.9132000    
 H   -3.866100      -2.984300     -0.5640000    
 H    3.870200      -2.986000     -0.5649000    
 H   -1.685900      -1.981500     -0.9430000    
 H    1.689700      -1.986800     -0.9429000    
 H   -8.191100       2.415500      0.8818000    
 H    8.190600       2.416900      0.8825000    
 H   -8.749100      -2.506100      0.5293000    
 H    8.752500      -2.504100      0.5300000    
 H   -2.328400       2.664000     -0.3327000    
 H   -4.010600       2.880900      3.2400001E-02
 H    2.328400       2.661300     -0.3353000    
 H    4.010100       2.879200      3.0999999E-02
 H   -10.38940       1.384600       1.253300    
 H    10.38950       1.387700       1.255200    
 H   -10.66940      -1.071400       1.077600    
 H    10.67130      -1.068100       1.079600    


%chk=000104246-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104246

0 1
O 0.000214 -0.387901 0.070847
O -6.007655 2.480469 0.210819
O 6.007560 2.481502 0.210805
O -6.583705 -3.000400 -0.101611
O 6.584690 -2.999162 -0.103375
N -3.393180 2.222662 0.208334
N 3.393392 2.223267 0.207890
N -0.709981 1.775393 0.188906
N 0.710081 1.775564 0.188650
C -4.929637 0.313866 0.095121
C 4.930040 0.314728 0.094571
C -5.092363 -1.103554 0.015093
C 5.093004 -1.102631 0.014107
C -3.590540 0.877691 0.132627
C 3.590873 0.878329 0.132077
C -2.458812 -0.035053 0.086631
C 2.459258 -0.034577 0.085934
C -7.468190 0.577533 0.092937
C 7.468529 0.578843 0.092956
C -7.637538 -0.834119 0.011916
C 7.638131 -0.832754 0.011448
C -6.109609 1.196642 0.137538
C 6.109826 1.197709 0.137465
C -6.453318 -1.736121 -0.029498
C 6.454076 -1.734954 -0.030413
C -3.972314 -1.965115 -0.026284
C 3.973078 -1.964342 -0.027712
C -2.674266 -1.432141 0.009134
C 2.674950 -1.431605 0.007895
C -1.114206 0.490693 0.118162
C 1.114558 0.490942 0.117834
C -8.608776 1.417070 0.131530
C 8.608966 1.418560 0.132019
C -8.940654 -1.389058 -0.029694
C 8.941348 -1.387453 -0.030191
C -9.902260 0.858804 0.089928
C 9.902552 0.860529 0.090417
C -10.069670 -0.547594 0.008965
C 10.070214 -0.545811 0.008955
H -4.148910 -3.042061 -0.086331
H 4.149847 -3.041234 -0.088217
H -1.805160 -2.096040 -0.023571
H 1.805948 -2.095627 -0.025067
H -8.452477 2.498159 0.193262
H 8.452470 2.499600 0.194088
H -9.037461 -2.477502 -0.091890
H 9.038353 -2.475857 -0.092777
H -2.426474 2.585174 0.229678
H -4.242072 2.810725 0.237028
H 2.426665 2.585723 0.229582
H 4.242211 2.811391 0.236912
H -10.780542 1.512459 0.119944
H 10.780719 1.514321 0.120806
H -11.076206 -0.977824 -0.023281
H 11.076827 -0.975858 -0.023299


