%chk=000059705.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059705

0 1
 O   -4.553600     -0.9979000      0.8276000    
 O    6.378100      0.8577000     -0.6940000    
 N   -9.569900      0.9681000     -0.5494000    
 C   0.3038000     -0.5622000      4.2500000E-02
 C    1.502300      0.3894000      3.5300002E-02
 C  -0.9885000      0.1773000      0.3987000    
 C    2.828800     -0.3051000     -0.2854000    
 C   -2.184100     -0.7793000      0.4345000    
 C    4.013900      0.6559000     -0.3655000    
 C   -3.477300     -7.1199998E-02  0.8197000    
 C    5.315200     -8.4100001E-02 -0.6462000    
 C   -5.790300     -0.5133000      0.4879000    
 C    7.619300      0.4087000     -0.3241000    
 C   -6.107400      0.8123000      0.7597000    
 C   -6.713100      -1.352800     -0.1246000    
 C   -8.297300      0.4696000     -0.2012000    
 C   -7.365500       1.305600      0.4140000    
 C   -7.971200     -0.8596000     -0.4705000    
 C    7.956800     -0.9241000     -0.5288000    
 C    8.526700       1.290300      0.2515000    
 C    9.219500      -1.381600     -0.1524000    
 C    9.789400      0.8326000      0.6279000    
 C    10.13580     -0.5033000      0.4260000    
 C   -10.57110      0.1671000      -1.183000    
 H   0.4807000      -1.365400      0.7680000    
 H   0.2016000      -1.032200     -0.9430000    
 H    1.584700      0.8795000       1.013400    
 H    1.325800       1.182500     -0.7020000    
 H   -1.173900      0.9706000     -0.3354000    
 H  -0.8781000      0.6599000       1.377300    
 H    3.025600      -1.065000      0.4810000    
 H    2.733300     -0.8367000      -1.240400    
 H   -2.311500      -1.259900     -0.5436000    
 H   -1.995500      -1.593700       1.145200    
 H    3.842300       1.405600      -1.147700    
 H    4.109000       1.216600      0.5727000    
 H   -3.379800      0.3686000       1.819100    
 H   -3.636400      0.7313000      8.7499999E-02
 H    5.461200     -0.8194000      0.1559000    
 H    5.251200     -0.6032000      -1.609600    
 H   -5.423000       1.486800       1.264900    
 H   -6.462200      -2.388400     -0.3359000    
 H   -7.610300       2.341200      0.6354000    
 H   -8.667000      -1.543400     -0.9473000    
 H    7.284200      -1.633000      -1.001600    
 H    8.260600       2.331400      0.4106000    
 H    9.492300      -2.420300     -0.3156000    
 H    10.50300       1.516500       1.078000    
 H   -9.771100       1.939200     -0.3395000    
 H    11.11960     -0.8593000      0.7176000    
 H   -10.23740     -0.1981000      -2.159800    
 H   -11.46810      0.7715000      -1.353400    
 H   -10.86690     -0.6802000     -0.5557000    


%chk=000059705-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059705

0 1
O -4.611914 -0.803064 -0.313715
O 6.574157 0.727182 0.305735
N -10.039267 0.818315 -0.034229
C 0.358002 -0.463664 -0.158823
C 1.599182 0.410022 0.127496
C -0.976703 0.291789 0.029788
C 2.932622 -0.345686 -0.069454
C -2.209062 -0.601255 -0.237849
C 4.167303 0.538720 0.217180
C -3.527582 0.159729 -0.077322
C 5.481093 -0.222070 0.026451
C -5.938567 -0.323417 -0.224972
C 7.894643 0.262183 0.194570
C -6.298534 1.016566 0.063796
C -6.955748 -1.279805 -0.447636
C -8.694328 0.430896 -0.098769
C -7.659176 1.383299 0.124448
C -8.313801 -0.914707 -0.386591
C 8.251764 -1.062985 -0.162121
C 8.901012 1.223100 0.468658
C 9.620345 -1.413692 -0.240595
C 10.258519 0.857509 0.385848
C 10.628935 -0.463807 0.030672
C -11.153094 -0.097437 -0.248022
H 0.372068 -1.351681 0.507129
H 0.413446 -0.852838 -1.196803
H 1.546630 0.794062 1.167487
H 1.582864 1.300997 -0.534362
H -0.996885 1.170822 -0.648383
H -1.025664 0.693729 1.063526
H 2.948103 -1.235753 0.594152
H 2.982733 -0.730515 -1.109603
H -2.160818 -1.017952 -1.262401
H -2.210778 -1.462441 0.457968
H 4.166043 1.419720 -0.453195
H 4.125169 0.924494 1.253881
H -3.617116 0.585246 0.945923
H -3.595123 0.993374 -0.809707
H 5.547217 -1.083592 0.724377
H 5.573585 -0.601750 -1.013246
H -5.536747 1.781552 0.242207
H -6.663929 -2.311629 -0.668714
H -7.922917 2.425093 0.348682
H -9.077600 -1.678416 -0.562740
H 7.488303 -1.816503 -0.376508
H 8.595897 2.238267 0.741156
H 9.893262 -2.438922 -0.516148
H 11.030760 1.605367 0.598764
H -10.243117 1.792127 0.177150
H 11.685442 -0.744605 -0.032511
H -11.130561 -0.552566 -1.260540
H -12.102877 0.454282 -0.148595
H -11.162989 -0.924589 0.492810


