%chk=000127917.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127917

0 1
 O   0.6107000      -3.385000     -1.8999999E-02
 O    6.783300       1.753300      0.1908000    
 N  -0.6034000      -1.507200      0.5753000    
 N   -3.108000     -0.2645000      0.2010000    
 N    2.113600     -0.7698000      -1.182300    
 N   -5.166400     -0.2398000      -1.023300    
 N   -3.912300       2.052200       1.600900    
 C  -0.7387000     -7.0299998E-02  0.8314000    
 C   -1.821400      -2.267000      0.8457000    
 C   -1.878800      0.5166000      1.7000000E-03
 C   -2.986900      -1.721000      2.2200000E-02
 C   0.5709000      -2.169300      0.1789000    
 C   -4.349500      0.3219000     -7.1599998E-02
 C    1.769100      -1.357200      1.7000000E-03
 C    2.726000      -1.043100      0.9337000    
 C    3.698800     -0.2274000      0.2907000    
 C    3.290800     -7.1199998E-02  -1.035700    
 C   -4.750000       1.477400      0.6268000    
 C    4.890800      0.3950000      0.7114000    
 C    4.018300      0.6792000      -1.966300    
 C   -5.984600       2.053900      0.3492000    
 C    5.628900       1.148800     -0.2085000    
 C   -6.359200      0.3486000      -1.265900    
 C    5.197500       1.287400      -1.526300    
 C   -6.810500       1.484800     -0.6138000    
 C    7.171100       1.573900       1.551200    
 H   0.1841000      0.4707000      0.6130000    
 H  -0.9429000      5.0099999E-02   1.902200    
 H   -2.032200      -2.171300       1.917700    
 H   -1.680800      -3.331000      0.6319000    
 H   -1.978000       1.580600      0.2298000    
 H   -1.612600      0.4620000      -1.062500    
 H   -2.830400      -1.942000      -1.041100    
 H   -3.904100      -2.230700      0.3420000    
 H    2.731600      -1.361500       1.967600    
 H    1.584600     -0.8344000      -2.041200    
 H    5.176000      0.2522000       1.746600    
 H    3.683100      0.7876000      -2.992300    
 H   -6.314600       2.945700      0.8753000    
 H   -6.965500     -0.1337000      -2.025400    
 H    5.782100       1.876400      -2.229200    
 H   -7.776800       1.917000     -0.8468000    
 H   -4.227800       2.874800       2.099000    
 H   -3.154800       1.510800       1.994800    
 H    7.379500      0.5223000       1.775900    
 H    6.439600       2.009700       2.240200    
 H    8.108500       2.121500       1.694600    


%chk=000127917-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127917

0 1
O 0.461758 -2.891350 -1.187788
O 7.165263 1.519950 0.312305
N -0.669709 -1.351692 0.149690
N -3.311106 -0.230519 0.359224
N 2.729535 -1.440633 -1.320683
N -5.340724 0.066738 -0.894725
N -4.256716 1.534473 2.330951
C -0.853061 -0.018105 0.751907
C -1.869653 -2.222012 0.189121
C -2.124989 0.660195 0.199245
C -3.105567 -1.504790 -0.378556
C 0.474719 -1.813431 -0.488636
C -4.584785 0.401470 0.180810
C 1.764857 -1.078029 -0.370587
C 2.352969 -0.164643 0.528230
C 3.716874 0.038660 0.107812
C 3.925056 -0.781160 -1.059282
C -5.036058 1.324821 1.190505
C 4.784491 0.836945 0.612481
C 5.170993 -0.818606 -1.730621
C -6.279962 1.968756 0.975105
C 6.018710 0.790198 -0.062077
C -6.557805 0.665239 -1.060430
C 6.210883 -0.029452 -1.221463
C -7.045643 1.642373 -0.168045
C 7.052808 2.380154 1.488407
H 0.012774 0.615671 0.511378
H -0.935171 -0.111055 1.855693
H -2.063273 -2.507999 1.242876
H -1.640117 -3.126221 -0.396967
H -2.299333 1.607947 0.737483
H -1.971150 0.898067 -0.877976
H -2.978296 -1.321277 -1.466305
H -4.001546 -2.134522 -0.254765
H 1.889777 0.268335 1.412232
H 2.538299 -2.176571 -2.003055
H 4.633843 1.462090 1.497201
H 5.327789 -1.441227 -2.617375
H -6.658291 2.687343 1.712272
H -7.135319 0.349935 -1.935774
H 7.197100 -0.017415 -1.694960
H -8.012952 2.121952 -0.347777
H -4.628480 2.088719 3.099426
H -3.557410 0.822057 2.544114
H 6.809269 1.793086 2.396323
H 6.285426 3.166284 1.341702
H 8.042623 2.846248 1.603354


