%chk=000048862.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048862

0 1
 O   -1.044100       1.208700      0.8681000    
 O   -1.764100       1.819300      -1.313300    
 O    2.094600       3.356600      -2.108500    
 O   -4.180400      -2.665900     -0.4758000    
 O   -6.568800      -1.711500      0.5784000    
 N    4.438800      0.6960000       2.010800    
 N    3.938500      -2.696700      -1.202500    
 N    1.049200      0.9677000      -1.185000    
 N    4.211500      -1.014000      0.4150000    
 N    2.465600     -0.8656000      -1.224400    
 N    2.721400      0.8667000      0.4161000    
 C   0.5549000       2.235400     -0.6673000    
 C   0.1180000       2.036200      0.7913000    
 C  -0.6439000       2.682300      -1.516600    
 C    4.857800     -0.1666000       3.123300    
 C    5.869300      0.4353000       2.217400    
 C    5.365900      -2.993200      -1.379500    
 C    4.566400      -3.727200     -0.3655000    
 C    1.690700       3.256100     -0.7566000    
 C   -2.107700       1.736500      7.1900003E-02
 C    3.756700      0.1561000      0.8915000    
 C    3.517700      -1.464100     -0.6429000    
 C    2.123900      0.2949000     -0.6418000    
 C   -3.294900      0.8147000      0.2052000    
 C   -3.194000     -0.5161000     -0.2003000    
 C   -4.493500       1.293600      0.7342000    
 C   -4.291400      -1.368200     -7.6499999E-02
 C   -5.591000      0.4415000      0.8576000    
 C   -5.490000     -0.8894000      0.4524000    
 C   -2.921100      -3.075600      -1.005400    
 C   -7.755900      -1.143500       1.128400    
 H   0.8598000       1.603300       1.461500    
 H  -0.1378000       3.007600       1.236600    
 H  -0.9478000       3.707000      -1.268700    
 H  -0.4114000       2.661100      -2.587200    
 H    4.691100      0.2883000       4.088600    
 H    4.612000      -1.213300       3.022200    
 H    6.355400     -0.1850000       1.479500    
 H    6.407500       1.310000       2.552800    
 H    5.577100      -3.477100      -2.321700    
 H    6.047900      -2.220200      -1.058000    
 H    4.220900      -4.723000     -0.6022000    
 H    4.688300      -3.487500      0.6801000    
 H   0.5849000      0.5365000      -1.976000    
 H    1.322500       4.242600     -0.4485000    
 H    2.568200       3.057800     -0.1405000    
 H   -2.372000       2.737600      0.4388000    
 H    2.783600       4.041300      -2.153500    
 H   -2.237900     -0.8327000     -0.6038000    
 H   -4.586600       2.328100       1.054100    
 H   -6.489000      0.8822000       1.276700    
 H   -2.676300      -2.537400      -1.927500    
 H   -2.125200      -3.004400     -0.2562000    
 H   -3.012700      -4.134000      -1.270900    
 H   -7.604300     -0.8141000       2.162000    
 H   -8.155100     -0.3472000      0.4911000    
 H   -8.510200      -1.936900       1.155400    


%chk=000048862-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048862

0 1
O -0.801179 1.733981 1.108957
O -1.530513 2.315801 -1.149948
O 2.365240 3.944163 -2.006014
O -2.843284 -2.799665 -0.064037
O -5.463088 -2.427372 0.172354
N 4.752934 0.277453 1.706329
N 2.419388 -2.988123 -0.750776
N 1.102254 1.490844 -1.036596
N 3.628186 -1.390677 0.490522
N 1.779390 -0.733868 -0.962509
N 2.888249 0.939406 0.432536
C 0.779891 2.819653 -0.457696
C 0.318167 2.688102 1.019030
C -0.455610 3.324006 -1.247332
C 4.681360 1.060944 2.955870
C 5.167219 -0.402195 2.948168
C 2.303285 -3.545593 -2.116653
C 3.450718 -3.957493 -1.175765
C 1.969163 3.799009 -0.601734
C -1.944856 2.099521 0.264398
C 3.708359 -0.074593 0.863808
C 2.630055 -1.654282 -0.415813
C 1.951753 0.551166 -0.492540
C -2.911558 0.947178 0.282436
C -2.398641 -0.365727 0.122818
C -4.296300 1.147212 0.413170
C -3.261841 -1.475270 0.088950
C -5.177508 0.039201 0.380283
C -4.677058 -1.271288 0.217143
C -1.395242 -3.029988 -0.164482
C -6.910872 -2.255476 0.303034
H 1.112201 2.266933 1.652796
H 0.013527 3.686213 1.404564
H -0.789505 4.299432 -0.834768
H -0.238889 3.435547 -2.320648
H 5.406241 1.874673 3.055940
H 3.685260 1.265659 3.366825
H 4.495059 -1.170542 3.347663
H 6.235710 -0.618833 3.041877
H 1.466555 -4.230239 -2.286099
H 2.537991 -2.876752 -2.952925
H 3.423953 -4.933172 -0.681213
H 4.452462 -3.563681 -1.383171
H 0.340489 1.072081 -1.584845
H 1.670401 4.812336 -0.281036
H 2.812108 3.442015 0.019378
H -2.382648 3.056352 0.632668
H 2.594642 3.037284 -2.338507
H -1.316736 -0.499047 0.045890
H -4.700747 2.158534 0.534469
H -6.253408 0.207231 0.482857
H -0.956468 -2.506792 -1.035170
H -0.871140 -2.702765 0.753513
H -1.290825 -4.118133 -0.284459
H -7.177462 -1.803633 1.278797
H -7.319786 -1.633443 -0.517424
H -7.324047 -3.272690 0.239516


