%chk=000076577.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076577

0 1
 O  -0.3168000      -1.537800     -0.2987000    
 O    2.317500      0.6829000      0.3327000    
 O  -0.4415000      -3.377500       1.079500    
 O    3.637600       1.314700      -1.444400    
 N  -0.4807000      -3.596200      -1.209100    
 N    4.558500      0.4698000      0.4856000    
 C  -0.1331000      0.8056000      0.4374000    
 C   -1.336500       1.261000     -0.4394000    
 C  -0.2414000     -0.6859000      0.8368000    
 C    1.153100       1.055800     -0.3934000    
 C   -2.725500       1.088700      0.1880000    
 C  -5.7200000E-02   1.641400       1.731800    
 C   -3.825100       1.512300     -0.7892000    
 C   -5.205700       1.380200     -0.1660000    
 C  -0.4151000      -2.878400     -4.0500000E-02
 C    3.511900      0.8634000     -0.3109000    
 H   -1.314500      0.7093000      -1.388900    
 H   -1.205400       2.319600     -0.7026000    
 H   0.6361000     -0.9735000       1.430800    
 H   -1.122900     -0.8490000       1.468300    
 H    1.225100       2.120100     -0.6529000    
 H    1.115900      0.4795000      -1.326600    
 H   -2.804200       1.690900       1.099500    
 H   -2.891500      4.3400001E-02  0.4681000    
 H  -0.9290000       1.473900       2.372700    
 H   0.8276000       1.385600       2.325400    
 H  -7.7000000E-03   2.712400       1.506100    
 H   -3.669400       2.552800      -1.097000    
 H   -3.777700      0.8951000      -1.693900    
 H   -5.406700      0.3445000      0.1261000    
 H   -5.297100       2.012200      0.7231000    
 H   -5.975300       1.686900     -0.8812000    
 H  -0.4553000      -3.136800      -2.113300    
 H  -0.5568000      -4.607800      -1.204500    
 H    4.403300      0.1020000       1.418300    
 H    5.519200      0.5345000      0.1662000    


%chk=000076577-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076577

0 1
O -0.335810 -1.494811 -0.315287
O 2.293588 0.659125 0.383717
O -0.055006 -3.400026 1.047936
O 3.660514 1.095421 -1.488266
N -0.283613 -3.550239 -1.285167
N 4.534205 0.312067 0.547158
C -0.158038 0.832576 0.440995
C -1.373787 1.235216 -0.454630
C -0.244619 -0.639277 0.896681
C 1.105939 1.040970 -0.423272
C -2.771372 1.108955 0.192975
C -0.078576 1.713086 1.715781
C -3.899149 1.556221 -0.766650
C -5.303767 1.438222 -0.137052
C -0.208741 -2.876995 -0.083654
C 3.523197 0.720762 -0.297176
H -1.355722 0.613778 -1.371858
H -1.227624 2.287496 -0.778057
H 0.651685 -0.929838 1.470706
H -1.137842 -0.817280 1.521877
H 1.208814 2.099892 -0.725362
H 1.078943 0.412736 -1.330618
H -2.826340 1.719833 1.116104
H -2.958159 0.058485 0.492997
H -0.929550 1.521939 2.393444
H 0.855642 1.517655 2.269985
H -0.096356 2.784614 1.443097
H -3.718588 2.605570 -1.078086
H -3.853388 0.945437 -1.691353
H -5.520720 0.393644 0.156076
H -5.384708 2.064479 0.771527
H -6.091878 1.761898 -0.841474
H -0.391991 -3.041220 -2.158718
H -0.206821 -4.562996 -1.279482
H 4.326590 0.005556 1.494245
H 5.486747 0.302649 0.194760


