%chk=000038631.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038631

0 1
 O    2.415400      -1.584400       1.317100    
 O   -4.486800     -0.8791000      0.3703000    
 O    1.975500      -1.617700     -0.9270000    
 N    4.979400      0.9536000      0.4469000    
 N   0.2810000      -1.377100      0.6702000    
 C    5.684300      0.1934000     -0.5948000    
 C    4.861600       2.372100      8.1500001E-02
 C    7.087700      0.7530000     -0.8319000    
 C    6.238300       3.003000     -0.1334000    
 C    7.042100       2.237000      -1.177900    
 C    3.658000      0.3775000      0.6949000    
 C    3.740000      -1.090800       1.119500    
 C    4.506700      -1.295400       2.419900    
 C    1.580800      -1.533200      0.2297000    
 C   -7.508800       1.324200     -4.3900002E-02
 C   -6.415700      0.5192000      0.6555000    
 C   -8.408100       2.035700      0.9665000    
 C   -5.489900     -0.1588000     -0.3445000    
 C  -0.8955000      -1.277900     -0.1069000    
 C   -3.279100      -1.029100     -0.2389000    
 C   -9.477200       2.865400      0.2735000    
 C   -2.117900      -1.125200      0.5280000    
 C  -0.8040000      -1.337200      -1.488600    
 C   -3.202600      -1.087000      -1.630500    
 C   -1.965000      -1.241100      -2.255300    
 H    5.843500     -0.8488000     -0.3067000    
 H    5.119100      0.1968000      -1.536100    
 H    4.257100       2.493800     -0.8272000    
 H    4.356500       2.922000      0.8848000    
 H    7.699400      0.6066000      6.7500003E-02
 H    7.575300      0.2005000      -1.643300    
 H    6.122500       4.046200     -0.4482000    
 H    6.789200       3.014400      0.8157000    
 H    6.580500       2.368900      -2.164200    
 H    8.058700       2.640300      -1.240900    
 H    3.028800      0.5049000     -0.1936000    
 H    3.152700      0.9391000       1.492700    
 H    4.187600      -1.731400      0.3537000    
 H    4.465100      -2.347300       2.723700    
 H    4.054500     -0.7189000       3.234600    
 H    5.557500      -1.006700       2.327300    
 H   -7.049900       2.065500     -0.7095000    
 H   -8.113400      0.6578000     -0.6709000    
 H   -5.824400       1.171500       1.310600    
 H   -6.862100     -0.2387000       1.311200    
 H   -8.889900       1.298800       1.619600    
 H   -7.805000       2.690900       1.606000    
 H   0.1520000      -1.326900       1.677900    
 H   -5.049500      0.6215000     -0.9787000    
 H   -6.056900     -0.8597000     -0.9680000    
 H   -10.10950       3.364100       1.014600    
 H   -10.11830       2.235700     -0.3517000    
 H   -9.026500       3.634900     -0.3614000    
 H   -2.182500      -1.079700       1.612100    
 H   0.1157000      -1.456400      -2.042500    
 H   -4.084200      -1.044100      -2.263300    
 H   -1.907100      -1.292600      -3.338800    


%chk=000038631-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038631

0 1
O 2.260777 -0.060313 1.516574
O -4.602911 0.395045 0.383220
O 1.931949 -0.710956 -0.730196
N 5.723062 0.800694 0.284855
N 0.157847 -0.046943 0.701740
C 5.747907 0.286436 -1.110786
C 6.640022 1.956046 0.453236
C 7.166146 -0.171946 -1.503580
C 8.090160 1.554294 0.111198
C 8.179922 0.981701 -1.322737
C 4.346309 1.049261 0.769600
C 3.739111 -0.252388 1.347312
C 4.288870 -0.618421 2.723332
C 1.477806 -0.309962 0.372248
C -8.384976 0.662912 -0.046569
C -6.987127 0.733553 0.610161
C -9.516300 1.114124 0.905366
C -5.879741 0.291582 -0.348417
C -0.993594 -0.180095 -0.122167
C -3.428397 0.039696 -0.299446
C -10.913188 1.042755 0.252306
C -2.240729 0.152114 0.457876
C -0.927997 -0.626734 -1.470928
C -3.382361 -0.404702 -1.644876
C -2.125774 -0.729739 -2.204580
H 5.031105 -0.549516 -1.198164
H 5.406222 1.080214 -1.826917
H 6.337007 2.817057 -0.200538
H 6.579408 2.300870 1.502548
H 7.456748 -1.026837 -0.862610
H 7.160559 -0.525510 -2.552658
H 8.752358 2.434736 0.222500
H 8.424624 0.787456 0.836823
H 7.952817 1.786146 -2.053297
H 9.208316 0.633490 -1.536299
H 3.679598 1.433393 -0.038049
H 4.373416 1.813582 1.569085
H 3.883158 -1.074605 0.623318
H 3.905242 -1.595653 3.062930
H 4.012333 0.146412 3.471330
H 5.389815 -0.668693 2.655612
H -8.402932 1.297252 -0.957692
H -8.587535 -0.375149 -0.384445
H -6.778478 1.767449 0.946316
H -6.959249 0.090684 1.510930
H -9.498663 0.482132 1.816451
H -9.315725 2.151356 1.242434
H 0.013861 0.268454 1.663476
H -5.848104 0.944168 -1.246339
H -6.034590 -0.757346 -0.678320
H -11.703535 1.369472 0.952632
H -11.150376 0.010099 -0.066464
H -10.966433 1.690513 -0.643141
H -2.315583 0.498259 1.495003
H 0.035630 -0.881912 -1.913829
H -4.289883 -0.498776 -2.246492
H -2.081226 -1.074116 -3.243974


