%chk=000080444.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080444

0 1
 O   -2.655100       2.704100     -7.8699999E-02
 O    2.654500       2.704900     -8.4700003E-02
 O   -4.794000       1.968500      0.1454000    
 O    4.792400       1.968000      0.1454000    
 N   -4.775800     -0.5212000       1.378300    
 N    4.771400     -0.5197000       1.382200    
 C  -8.9999998E-04  -1.259800      -1.634300    
 C   -1.250900      -1.060700     -0.8457000    
 C    1.269900      -1.057600     -0.8338000    
 C   -1.836000      0.2034000     -0.7736000    
 C    1.833900      0.2037000     -0.7733000    
 C   -1.835500      -2.138700     -0.1810000    
 C    1.834700      -2.138800     -0.1821000    
 C   -3.005700      0.3895000     -3.6800001E-02
 C    3.003100      0.3902000     -3.5700001E-02
 C   -3.590600     -0.6886000      0.6277000    
 C    3.587900     -0.6878000      0.6290000    
 C   -3.005400      -1.952800      0.5557000    
 C    3.003700      -1.952300      0.5557000    
 C   -3.591500       1.722800      2.0600000E-02
 C    3.589800       1.723100      1.9800000E-02
 H   4.6000001E-03  -2.265100      -2.078600    
 H   4.4999998E-03 -0.5896000      -2.505300    
 H   -1.374000       1.029000      -1.309800    
 H    1.368900       1.026000      -1.310300    
 H   -1.390900      -3.129200     -0.2293000    
 H    1.387600      -3.127200     -0.2336000    
 H   -3.450500      -2.801700       1.068400    
 H    3.448800      -2.801100       1.068700    
 H   -5.215300      0.3852000       1.457800    
 H   -5.183000      -1.315000       1.855100    
 H    5.210900      0.3867000       1.461600    
 H    5.179400      -1.313800       1.858000    
 H   -3.057100       3.598000     -3.9099999E-02
 H    3.057400       3.598600     -4.7400001E-02


%chk=000080444-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080444

0 1
O -2.408302 2.274483 1.196424
O 4.031608 1.978707 -2.042112
O -4.526239 1.488718 1.691176
O 5.325880 1.863071 -0.128194
N -5.217248 -0.938780 0.767720
N 4.530065 0.203251 1.831849
C 0.074023 -1.214548 -1.588452
C -1.306905 -1.134676 -0.937005
C 1.238025 -0.807154 -0.689355
C -1.714487 -0.005426 -0.206121
C 2.199010 0.124199 -1.108570
C -2.243393 -2.199558 -1.081544
C 1.401610 -1.391068 0.604287
C -3.011179 0.093638 0.373766
C 3.312350 0.487846 -0.293450
C -3.952055 -0.992318 0.219357
C 3.469813 -0.114195 1.008563
C -3.527312 -2.137498 -0.523778
C 2.480978 -1.060632 1.429181
C -3.403634 1.288821 1.126155
C 4.296567 1.464458 -0.762209
H 0.228028 -2.253161 -1.946176
H 0.093236 -0.577634 -2.495554
H -1.025156 0.832287 -0.061953
H 2.113069 0.601391 -2.090184
H -1.951448 -3.095041 -1.645379
H 0.654588 -2.110662 0.961229
H -4.223521 -2.975165 -0.651639
H 2.580576 -1.525621 2.417559
H -5.480421 -0.098587 1.296074
H -5.863971 -1.713254 0.644131
H 5.216310 0.888684 1.494478
H 4.616425 -0.229058 2.747883
H -2.766598 3.037596 1.723739
H 4.750908 2.627888 -2.265600


