%chk=000178111.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178111

0 1
 O   0.7100000      -2.154300     -0.7458000    
 O    1.717800       2.938600     -4.6000000E-02
 N    1.643600     -0.2977000      0.2742000    
 N  -0.2963000       1.872900     -0.2695000    
 C    3.015500     -0.6797000     -3.2200001E-02
 C    1.459200      0.8686000       1.108400    
 C    3.189100     -0.7191000      -1.553100    
 C    3.957500      0.3580000      0.5829000    
 C    3.287400      -2.063800      0.5638000    
 C   0.5782000      -1.074200     -0.1687000    
 C  -0.8077000     -0.5626000      2.4599999E-02
 C   -1.184400      0.7839000     -0.1287000    
 C   0.9959000       1.970800      0.1979000    
 C   -2.551600       1.106300     -0.1789000    
 C   -1.803600      -1.541800      0.1927000    
 C   -3.154500      -1.196500      0.1886000    
 C   -3.529100      0.1261000     -1.1000000E-02
 C   -3.031800       2.513400     -0.3704000    
 C   -4.195200      -2.248900      0.3713000    
 H    2.264200       1.203500       1.757400    
 H   0.6518000      0.6540000       1.821700    
 H    2.895000      0.2345000      -2.007700    
 H    4.237800     -0.8993000      -1.817100    
 H    2.606800      -1.505800      -2.040900    
 H    3.992600      0.3183000       1.678000    
 H    3.790800       1.380000      0.2288000    
 H    4.987000      0.1240000      0.2763000    
 H    2.767700      -2.877500      5.1300000E-02
 H    4.356400      -2.301500      0.5034000    
 H    3.003300      -2.103200       1.622200    
 H  -0.6566000       2.715200     -0.7075000    
 H   -1.528800      -2.588700      0.3096000    
 H   -4.584300      0.3883000     -3.3300001E-02
 H   -2.743400       2.885600      -1.359100    
 H   -4.123200       2.588100     -0.3065000    
 H   -2.624900       3.170700      0.4056000    
 H   -4.474800      -2.673500     -0.5980000    
 H   -3.831300      -3.055700       1.016600    
 H   -5.092800      -1.839500      0.8472000    


%chk=000178111-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178111

0 1
O 0.736280 -2.192452 -0.766121
O 1.648407 3.069717 0.072241
N 1.642369 -0.318045 0.312687
N -0.312939 1.891735 -0.342573
C 3.085061 -0.708359 -0.016756
C 1.336836 0.863074 1.149684
C 3.248038 -0.768771 -1.561026
C 4.079447 0.344996 0.532219
C 3.396845 -2.083921 0.632900
C 0.577486 -1.069502 -0.179905
C -0.832950 -0.537136 -0.003640
C -1.240974 0.824012 -0.152957
C 0.930184 2.046540 0.267472
C -2.632416 1.159639 -0.158677
C -1.830529 -1.532159 0.166084
C -3.205549 -1.225078 0.187949
C -3.581932 0.132399 0.015106
C -3.081459 2.599999 -0.338155
C -4.252656 -2.312611 0.348522
H 2.216605 1.163197 1.728522
H 0.523797 0.617697 1.858007
H 3.071789 0.226961 -2.007055
H 4.279342 -1.081160 -1.806764
H 2.549740 -1.493763 -2.005753
H 4.129774 0.344804 1.636841
H 3.852500 1.367013 0.179661
H 5.085442 0.076856 0.164697
H 2.733161 -2.863142 0.228238
H 4.446252 -2.362104 0.422692
H 3.266122 -2.033433 1.729721
H -0.621344 2.699140 -0.893202
H -1.491656 -2.570915 0.239667
H -4.646912 0.397095 0.019939
H -2.842077 2.992396 -1.347880
H -4.173605 2.684751 -0.215169
H -2.605596 3.274484 0.398856
H -4.560555 -2.715640 -0.635898
H -3.867154 -3.159658 0.941828
H -5.161874 -1.931157 0.846099


