%chk=000064098.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064098

0 1
 O  -0.5034000      -1.482300     -0.3263000    
 O    3.458900       2.046200      0.9684000    
 O   -2.014300      -1.552800       2.005100    
 N    1.863700      0.6681000     -8.5000001E-02
 N    2.505500      -1.473500     -0.8698000    
 C    1.608500     -0.5477000     -0.7160000    
 C   0.8321000       1.598500      0.1675000    
 C    4.178600     -2.6799999E-02  0.1822000    
 C    3.145800       1.012900      0.3826000    
 C   0.2494000     -0.8334000      -1.321300    
 C    3.807900      -1.233900     -0.4147000    
 C   0.5515000       2.605400     -0.7479000    
 C   0.1055000       1.487200       1.346900    
 C    5.495800      0.1873000      0.6053000    
 C    4.777100      -2.229600     -0.5848000    
 C  -0.4716000       3.515000     -0.4800000    
 C   -1.872700      -1.341000     -0.3753000    
 C    1.321600       2.741200      -2.021400    
 C  -0.9176000       2.396800       1.614600    
 C   -4.629800      -1.056900     -0.4999000    
 C   -2.615900      -1.378200      0.7955000    
 C    6.450300     -0.8131000      0.4283000    
 C   -1.206100       3.410500      0.7012000    
 C    6.091600      -2.021200     -0.1652000    
 C   -2.485400      -1.164000      -1.607500    
 C   -4.002100      -1.235400      0.7329000    
 C   -3.871400      -1.021300      -1.670100    
 C   -6.111600     -0.9038000     -0.5668000    
 C   -6.561700      0.5306000     -0.4636000    
 C   -1.853300      -2.894500       2.461300    
 C   -7.327000       1.009500      0.5237000    
 H   0.3789000      -1.506400      -2.177200    
 H  -0.2103000      9.5700003E-02  -1.668600    
 H   0.3211000      0.7004000       2.065000    
 H    5.795200       1.120700       1.073700    
 H    4.512800      -3.176200      -1.050600    
 H  -0.7101000       4.310900      -1.180500    
 H    1.246900       1.831200      -2.624500    
 H   0.9446000       3.565300      -2.637000    
 H    2.375700       2.950100      -1.811600    
 H   -1.490500       2.314300       2.533600    
 H    7.473500     -0.6513000      0.7548000    
 H   -2.003300       4.118000      0.9096000    
 H    6.835200      -2.800800     -0.3030000    
 H   -1.935100      -1.158500      -2.543000    
 H   -4.587800      -1.262000       1.648800    
 H   -4.349000     -0.8874000      -2.637300    
 H   -6.485900      -1.317000      -1.512500    
 H   -6.580000      -1.515300      0.2158000    
 H   -6.252600       1.209100      -1.255200    
 H   -2.827800      -3.378100       2.581600    
 H   -1.353400      -2.867900       3.433400    
 H   -1.232800      -3.466500       1.764200    
 H   -7.621800       2.053000      0.5334000    
 H   -7.669100      0.3754000       1.334000    


%chk=000064098-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064098

0 1
O -0.623461 -1.197759 -0.208650
O 3.460779 2.024957 0.929457
O -2.244296 -1.146262 2.075928
N 1.905884 0.632881 -0.161031
N 2.496956 -1.575563 -0.949562
C 1.622699 -0.591660 -0.800751
C 0.889932 1.680504 -0.039693
C 4.174529 -0.197382 0.248942
C 3.210110 0.911321 0.388494
C 0.231662 -0.811775 -1.350851
C 3.789263 -1.401183 -0.422440
C 0.952477 2.814795 -0.895464
C -0.116702 1.543537 0.939446
C 5.485789 -0.063302 0.774342
C 4.732527 -2.456753 -0.559097
C -0.051688 3.803034 -0.741313
C -2.018021 -1.145262 -0.399271
C 2.060070 2.983809 -1.916529
C -1.105338 2.541538 1.071998
C -4.861360 -0.986030 -0.579073
C -2.815327 -1.155289 0.785474
C 6.406982 -1.114874 0.636577
C -1.071342 3.674187 0.228593
C 6.026878 -2.313094 -0.033050
C -2.649828 -1.071687 -1.659478
C -4.216129 -1.071452 0.681579
C -4.059269 -0.992427 -1.743270
C -6.386967 -0.915856 -0.668334
C -6.998677 0.151998 0.221906
C -1.422761 -2.324879 2.434258
C -7.952956 -0.070621 1.160272
H 0.284677 -1.638307 -2.080354
H -0.173242 0.103797 -1.822865
H -0.141116 0.656760 1.578004
H 5.747199 0.871022 1.281612
H 4.415719 -3.367796 -1.075528
H -0.025104 4.686653 -1.389896
H 2.219406 2.069255 -2.517660
H 1.836357 3.813524 -2.607717
H 3.015561 3.209288 -1.407157
H -1.892224 2.424281 1.823777
H 7.418868 -1.015261 1.043190
H -1.834513 4.454595 0.324055
H 6.750354 -3.129098 -0.137451
H -2.055671 -1.072543 -2.578747
H -4.797977 -1.056961 1.609691
H -4.534065 -0.931497 -2.729598
H -6.668983 -0.717873 -1.722288
H -6.829057 -1.897015 -0.403084
H -6.615733 1.172811 0.070802
H -2.041653 -3.242537 2.408619
H -1.080378 -2.134364 3.462856
H -0.561007 -2.429655 1.753424
H -8.363645 0.744026 1.767121
H -8.351887 -1.076056 1.346585


