%chk=000128715.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128715

0 1
 O   -2.428500     -0.3095000      0.1982000    
 O    3.163100      0.3749000     -6.7100003E-02
 O   -4.193900     -0.4316000       1.650300    
 O    5.045400      0.7181000       1.203400    
 O   -3.857100       2.806300      -1.596300    
 N   0.5479000      -1.206300      0.6557000    
 N   -4.122700       1.244800      4.6999998E-02
 N    4.353800       2.261500     -0.3847000    
 N   -3.332200       1.814600      -1.078400    
 C  -0.5562000      -1.792100      0.1500000    
 C    1.714200      -1.507900      4.2100001E-02
 C   -1.853500      -1.460700      0.8273000    
 C    2.944200     -0.8660000      0.5919000    
 C  -0.5631000      -2.657100     -0.9273000    
 C    1.821000      -2.361600      -1.044000    
 C   0.6559000      -2.943000      -1.531900    
 C   -3.627100      0.1209000      0.7092000    
 C    4.264200       1.087100      0.3326000    
 C   -5.380400       1.872100      0.4226000    
 C    5.405000       3.235500     -0.2006000    
 H   -2.547700      -2.307600      0.7667000    
 H   -1.667000      -1.240200       1.885500    
 H    2.813300     -0.6897000       1.666700    
 H    3.813000      -1.522400      0.4586000    
 H   -1.478100      -3.103100      -1.301100    
 H    2.776300      -2.576900      -1.510600    
 H   0.6978000      -3.616700      -2.382400    
 H    3.640800       2.452800      -1.081800    
 H   -6.063100       1.846500     -0.4320000    
 H   -5.845900       1.346400       1.260600    
 H   -5.189900       2.907900      0.7189000    
 H    6.108600       2.920400      0.5734000    
 H    5.928800       3.355700      -1.152000    
 H    4.944100       4.185400      8.0799997E-02


%chk=000128715-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128715

0 1
O -3.065230 -0.196663 0.213442
O 4.001143 1.275997 0.486579
O -4.526556 -0.247191 2.041451
O 5.124851 -0.782303 0.839812
O -5.968638 -0.796265 -2.282385
N 0.456110 0.413964 1.020009
N -5.326357 -0.535436 -0.151148
N 6.078477 0.992848 -0.377989
N -4.962296 -0.595551 -1.529128
C -0.672826 0.177253 0.290847
C 1.640263 0.555800 0.356326
C -1.922602 0.036161 1.136742
C 2.843921 0.783445 1.254650
C -0.674145 0.076270 -1.119181
C 1.735323 0.475834 -1.052666
C 0.558416 0.231528 -1.793616
C -4.298647 -0.316607 0.812242
C 5.093679 0.376672 0.355548
C -6.730186 -0.694243 0.275550
C 7.351956 0.334391 -0.680912
H -1.838355 -0.814608 1.836470
H -2.108853 0.948826 1.730552
H 2.609643 1.550794 2.010344
H 3.124396 -0.158035 1.764241
H -1.608078 -0.112702 -1.652814
H 2.703038 0.610597 -1.541588
H 0.598390 0.162915 -2.885872
H 5.905694 1.952339 -0.678846
H -7.106444 -1.684595 -0.032558
H -6.763749 -0.592550 1.368760
H -7.356120 0.076218 -0.205664
H 7.318526 -0.680941 -0.255461
H 7.513172 0.256280 -1.771827
H 8.203084 0.878056 -0.230609


