%chk=000089066.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089066

1 1
 O    1.643200     -0.4819000      0.2723000    
 O    2.848400       1.265200     -0.6416000    
 N   -2.049400     -1.3800000E-02  3.8999999E-03
 C  -0.7448000     -0.6932000      0.3943000    
 C   -3.222100     -0.8863000      0.4277000    
 C   -2.145400       1.337300      0.6977000    
 C   -2.085400      0.1869000      -1.504300    
 C   0.4208000      0.1645000     -5.7300001E-02
 C   -3.121200      -2.227600     -0.2652000    
 C   -3.444100       2.007500      0.3059000    
 C    2.781400      0.1836000     -7.9300001E-02
 C    3.937400     -0.6362000      0.3385000    
 C    5.181100     -0.2059000      0.1076000    
 H  -0.7400000     -0.8470000       1.479800    
 H  -0.6654000      -1.667700     -9.5200002E-02
 H   -3.199100     -0.9911000       1.517900    
 H   -4.158500     -0.4131000      0.1220000    
 H   -2.081000       1.177400       1.779500    
 H   -1.327600       1.981400      0.3685000    
 H   -1.611900     -0.6666000      -2.000100    
 H   -3.124200      0.2688000      -1.839900    
 H   -1.546300       1.103100      -1.766000    
 H   0.4179000      0.3295000      -1.138800    
 H   0.4397000       1.128900      0.4554000    
 H   -4.038600      -2.791700     -5.4800000E-02
 H   -3.048900      -2.171700      -1.353700    
 H   -2.309600      -2.850300      0.1203000    
 H   -3.440400       3.027000      0.7115000    
 H   -3.590900       2.115500     -0.7711000    
 H   -4.323400       1.528800      0.7449000    
 H    3.761200      -1.585400      0.8319000    
 H    6.029500     -0.8085000      0.4146000    
 H    5.389700      0.7382000     -0.3834000    


%chk=000089066-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089066

1 1
O 1.650156 -0.484986 0.204137
O 2.976317 1.348035 -0.372354
N -2.081253 0.032484 -0.129695
C -0.694891 -0.536053 0.244463
C -3.173605 -0.949896 0.387619
C -2.268987 1.410923 0.571553
C -2.199288 0.191613 -1.644807
C 0.491958 0.387454 -0.067808
C -3.057407 -2.391585 -0.120002
C -3.644115 2.062249 0.392528
C 2.915961 0.158906 0.007420
C 4.012375 -0.778784 0.314492
C 5.311310 -0.391166 0.202242
H -0.720878 -0.768548 1.322789
H -0.565111 -1.476661 -0.312909
H -3.109715 -0.913651 1.489591
H -4.138171 -0.515311 0.081061
H -2.049956 1.234111 1.639439
H -1.485181 2.068466 0.161127
H -1.849521 -0.728349 -2.134726
H -3.250155 0.375020 -1.911005
H -1.583908 1.041469 -1.973861
H 0.522668 0.723914 -1.121004
H 0.548028 1.277382 0.583126
H -3.927380 -2.948993 0.270305
H -3.100970 -2.467304 -1.219664
H -2.157575 -2.912615 0.244198
H -3.602551 3.055293 0.874311
H -3.904548 2.235404 -0.665134
H -4.460427 1.507533 0.881831
H 3.727576 -1.785619 0.633957
H 6.131239 -1.079673 0.429406
H 5.570102 0.624537 -0.119126


