%chk=000150039.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150039

0 1
 O   -2.512600       2.264900      -1.620900    
 O   -1.944600      -1.871200      8.0499999E-02
 O   -1.226500      -2.094100      -1.981900    
 N  -0.4350000      0.5466000     -0.8202000    
 N   -4.357200      0.4663000       1.047200    
 N    3.395400     -0.3734000      0.6098000    
 N   -1.022300      -2.042900     -0.7481000    
 C   -2.793100       1.172800     -0.7436000    
 C   -1.522300      0.8521000      4.7600001E-02
 C   0.8563000      0.2029000     -0.3356000    
 C   -4.019400       1.525500      0.1064000    
 C    1.212300      -1.123000     -6.9100000E-02
 C    1.771100       1.240400     -0.1289000    
 C    2.510600      -1.369000      0.4090000    
 C    3.047400      0.9020000      0.3515000    
 C   0.3132000      -2.185300     -0.2676000    
 C    1.440100       2.581800     -0.3883000    
 C    2.871000      -2.687000      0.6765000    
 C    3.962600       1.930500      0.5593000    
 C   0.6983000      -3.494000      7.3000002E-03
 C   -5.163300     -0.5676000      0.3944000    
 C   -5.072100       1.010400       2.203900    
 C    1.980000      -3.745000      0.4802000    
 C    2.373300       3.591400     -0.1721000    
 C    3.637000       3.264700      0.3027000    
 H   -3.041800      0.3242000      -1.391300    
 H   -1.675400      0.1317000      0.8506000    
 H   -1.255400       1.772900      0.5856000    
 H   -4.867200       1.801000     -0.5356000    
 H   -3.767500       2.449600      0.6465000    
 H  -0.6481000      0.1798000      -1.743100    
 H   0.4666000       2.876700     -0.7708000    
 H    3.869700      -2.909600       1.048000    
 H    4.959500       1.700100      0.9308000    
 H   1.6899999E-02  -4.328500     -0.1399000    
 H   -1.750300       2.015200      -2.170200    
 H   -4.631900      -1.016400     -0.4507000    
 H   -6.120600     -0.1775000      2.9600000E-02
 H   -5.372600      -1.384200       1.094600    
 H   -4.446000       1.732400       2.740000    
 H   -5.309700      0.2145000       2.918600    
 H   -6.006000       1.506700       1.915800    
 H    2.290900      -4.762600      0.6980000    
 H    2.116200       4.626400     -0.3755000    
 H    4.373000       4.044800      0.4742000    


%chk=000150039-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150039

0 1
O -2.188207 2.009033 -1.677518
O -0.975296 -4.303595 -0.894336
O -0.881472 -2.379398 -2.111144
N -0.746298 -0.256633 -0.473459
N -4.515855 1.297346 1.167997
N 3.416750 -0.309777 0.559986
N -0.393954 -3.193290 -1.206712
C -2.809310 1.129870 -0.670064
C -1.756029 0.519691 0.281528
C 0.625767 -0.280427 -0.266742
C -3.815061 2.020937 0.081408
C 1.382150 -1.524525 -0.289412
C 1.351563 0.948828 0.001869
C 2.775017 -1.455033 0.176428
C 2.732651 0.871423 0.445517
C 0.906368 -2.868282 -0.579918
C 0.788418 2.254254 -0.212860
C 3.562497 -2.651359 0.319840
C 3.446011 2.077707 0.768269
C 1.692110 -4.016454 -0.385431
C -5.546249 0.360858 0.669004
C -5.060548 2.212708 2.193360
C 3.035317 -3.911228 0.061050
C 1.519348 3.408725 0.072560
C 2.851002 3.323687 0.595638
H -3.338960 0.301352 -1.191344
H -2.285200 -0.143598 0.994204
H -1.268355 1.307727 0.874284
H -4.518467 2.460300 -0.667893
H -3.249465 2.861922 0.524468
H -1.123915 -1.032978 -1.034191
H -0.208980 2.358622 -0.650462
H 4.592153 -2.506082 0.658969
H 4.473139 1.964743 1.127727
H 1.253718 -4.990042 -0.619015
H -1.581250 1.455391 -2.234706
H -5.097284 -0.390208 -0.003862
H -6.368293 0.875370 0.110115
H -5.995256 -0.179999 1.520606
H -4.248863 2.837889 2.604971
H -5.491450 1.623000 3.022172
H -5.859644 2.892856 1.804269
H 3.641226 -4.813937 0.181015
H 1.074558 4.390269 -0.124016
H 3.404397 4.239339 0.831033


