%chk=000104712.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104712

0 1
 O    2.173000      0.9222000       1.523200    
 O  -0.4049000      -2.993200      0.9169000    
 O   -2.381800       2.610000     -4.5200001E-02
 O   -2.846700      -2.710400      0.1181000    
 O    6.623000     -0.4775000      -1.412800    
 N   8.7899998E-02   2.551400      0.7562000    
 C   -1.312400      0.5456000      0.4208000    
 C   -1.437300     -0.8446000      0.4613000    
 C   -3.725400      0.7395000     -0.3681000    
 C   -3.850400     -0.6508000     -0.3272000    
 C   -2.451800       1.388500      4.4000000E-03
 C  -0.1000000       1.148400      0.7768000    
 C   -2.711100      -1.493600      8.9100003E-02
 C  -0.3496000      -1.632200      0.8573000    
 C   0.9814000      0.3598000       1.171000    
 C   0.8569000      -1.027500       1.211000    
 C   -4.813100       1.527100     -0.7642000    
 C   -5.063100      -1.253500     -0.6825000    
 C   -6.019800      0.9224000      -1.117200    
 C   -6.144500     -0.4649000      -1.076600    
 C    3.290000      0.5710000      0.7863000    
 C    3.204600      0.5385000     -0.5943000    
 C    4.465000      0.2608000       1.448100    
 C    4.330800      0.1843000      -1.337300    
 C    5.591100     -9.3199998E-02  0.7051000    
 C    5.524000     -0.1315000     -0.6876000    
 C    6.484100     -0.4966000      -2.832600    
 H    1.697400      -1.639800       1.530100    
 H   -4.744100       2.610800     -0.8051000    
 H   -5.187600      -2.332800     -0.6597000    
 H   -6.863400       1.533900      -1.424300    
 H   -7.085000     -0.9332000      -1.352100    
 H   0.9853000       2.937600       1.019500    
 H  -0.6575000       3.173100      0.4781000    
 H   0.4533000      -3.342900       1.211300    
 H    2.293200      0.7985000      -1.124300    
 H    4.518600      0.2897000       2.532200    
 H    4.210400      0.1786000      -2.415200    
 H    6.517800     -0.3384000       1.216800    
 H    6.258300      0.4994000      -3.228300    
 H    7.452700     -0.7933000      -3.248100    
 H    5.754500      -1.246800      -3.155600    


%chk=000104712-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000104712

0 1
O 2.037896 1.351862 0.302368
O -0.407164 -2.866316 -0.264889
O -2.822350 2.752830 0.344208
O -3.048978 -2.734682 -0.350153
O 7.230646 -0.673652 -0.506182
N -0.236965 2.719986 0.395845
C -1.598955 0.673413 0.117592
C -1.643210 -0.767696 -0.058786
C -4.140583 0.765897 0.078244
C -4.193630 -0.643193 -0.098185
C -2.837051 1.467094 0.188016
C -0.343424 1.363428 0.228346
C -2.947242 -1.475185 -0.180452
C -0.413531 -1.478059 -0.108648
C 0.865675 0.584907 0.159897
C 0.833883 -0.795455 -0.001593
C -5.342936 1.516452 0.150189
C -5.452211 -1.287499 -0.201140
C -6.587813 0.868963 0.048169
C -6.642338 -0.539033 -0.128361
C 3.316395 0.759275 0.057997
C 3.689839 0.363558 -1.240896
C 4.225482 0.684670 1.135143
C 4.994255 -0.127948 -1.472893
C 5.526953 0.202277 0.906452
C 5.914585 -0.208229 -0.395563
C 7.696177 -1.093011 -1.831770
H 1.774107 -1.358301 -0.038946
H -5.266142 2.599455 0.285810
H -5.460394 -2.373414 -0.337345
H -7.514934 1.449684 0.104598
H -7.612036 -1.042593 -0.207953
H 0.688341 3.138471 0.469308
H -1.127577 3.242227 0.441775
H 0.526189 -3.203644 -0.260030
H 2.975208 0.449009 -2.065950
H 3.910966 1.009568 2.131135
H 5.278909 -0.428860 -2.484955
H 6.258098 0.135113 1.717037
H 7.661977 -0.254129 -2.553545
H 8.738008 -1.410294 -1.681331
H 7.099675 -1.942546 -2.217260


