%chk=000027007.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027007

0 1
 O   -3.877300     -0.1363000     -0.2529000    
 O   -2.192900      0.9833000      -1.351900    
 N  -0.3423000     -0.2422000      0.6070000    
 N  -0.8804000      -1.608300       2.261800    
 C   0.5051000      0.5807000     -0.2827000    
 C   0.5441000       2.051700      0.1701000    
 C    1.645800       2.317600       1.188800    
 C    1.875100     -3.3500001E-02 -0.5046000    
 C    3.012000       1.952700      0.6161000    
 C    3.047400      0.6013000     -5.1399998E-02
 C    1.978500      -1.266400      -1.173200    
 C    4.292600     -4.6000001E-03 -0.2821000    
 C   -1.692500     -0.3941000      0.5289000    
 C   0.1062000     -0.9849000       1.656800    
 C    3.221100      -1.861700      -1.385500    
 C    4.377900      -1.231000     -0.9397000    
 C   -2.004300      -1.244700       1.563300    
 C   -2.555900      0.2131000     -0.4317000    
 C   -4.843300      0.4096000      -1.157400    
 C   -6.217000     -0.1023000     -0.7797000    
 H   2.7600000E-02  0.5498000      -1.267600    
 H  -0.4233000       2.367200      0.5784000    
 H   0.7316000       2.684400     -0.7082000    
 H    1.455500       1.733800       2.097600    
 H    1.640100       3.373300       1.482600    
 H    3.750400       1.987900       1.426300    
 H    3.304200       2.704400     -0.1280000    
 H    1.085000      -1.771100      -1.533200    
 H    5.207200      0.4821000      4.8400000E-02
 H    1.144200      -1.036900       1.956400    
 H    3.285500      -2.815000      -1.901500    
 H    5.347500      -1.690100      -1.108900    
 H   -2.977300      -1.619000       1.848700    
 H   -4.822200       1.502800      -1.093500    
 H   -4.598100      0.1004000      -2.179200    
 H   -6.981600      0.2963000      -1.452300    
 H   -6.245200      -1.196200     -0.8207000    
 H   -6.465600      0.1836000      0.2477000    


%chk=000027007-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027007

0 1
O -3.924727 -0.096891 -0.171429
O -2.256272 0.878825 -1.486989
N -0.283383 -0.316894 0.467454
N -0.819866 -1.616652 2.262133
C 0.538214 0.508798 -0.485104
C 0.523726 1.996615 -0.056381
C 1.456083 2.242693 1.145487
C 1.955092 -0.058091 -0.586201
C 2.915279 1.924772 0.755422
C 3.065949 0.599455 0.011914
C 2.156964 -1.267004 -1.300623
C 4.353919 0.017510 -0.122034
C -1.694084 -0.416704 0.500261
C 0.184868 -1.048024 1.544265
C 3.440165 -1.834125 -1.427976
C 4.547806 -1.185565 -0.830629
C -1.986695 -1.226643 1.616704
C -2.590829 0.188360 -0.481637
C -4.941862 0.462452 -1.112384
C -6.307263 0.051706 -0.571060
H 0.027420 0.426571 -1.459512
H -0.513991 2.302171 0.161397
H 0.861634 2.601989 -0.920319
H 1.139077 1.610089 1.997784
H 1.376870 3.292886 1.481347
H 3.566202 1.924843 1.650645
H 3.294729 2.736965 0.100116
H 1.292845 -1.765028 -1.757836
H 5.213433 0.519753 0.339702
H 1.243613 -1.162339 1.758246
H 3.578178 -2.767449 -1.984252
H 5.551601 -1.616207 -0.917868
H -2.969821 -1.536598 1.961170
H -4.814009 1.559383 -1.153939
H -4.745121 0.055283 -2.120778
H -7.103566 0.440664 -1.231570
H -6.399261 -1.046834 -0.525145
H -6.467516 0.456961 0.442619


