%chk=000155218.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155218

0 1
 O   0.3350000      0.2969000      0.8907000    
 O    5.498700       2.163900     -0.3959000    
 O   0.7672000      0.4412000      -1.405500    
 O    6.068400      0.7022000       1.240600    
 O  -0.3691000      -2.263100       1.167100    
 O   -5.423800       2.434500     -0.2688000    
 O   -5.918500      0.2275000     -0.4955000    
 N    5.201100      -1.446300     -0.1731000    
 N   -1.937600      -2.905000     -0.4173000    
 N   -1.515100      -4.220400     -0.4130000    
 C    3.485500      0.1288000      -1.064700    
 C    4.970100     -0.1328000     -0.7738000    
 C    2.572500      8.2199998E-02  0.1607000    
 C    1.134300      0.2897000     -0.2473000    
 C   -1.018000      0.4847000      0.6001000    
 C    5.570200      0.9181000      0.1433000    
 C   -1.823500     -0.6082000      0.3652000    
 C   -1.496300       1.777400      0.5613000    
 C   -3.172400     -0.3996000      7.7600002E-02
 C   -3.683100      0.8977000      3.1900000E-02
 C   -2.845200       1.986200      0.2737000    
 C   -1.310400      -1.970300      0.4088000    
 C   -5.090000       1.114800     -0.2663000    
 H    3.142000     -0.6131000      -1.798700    
 H    3.378400       1.105900      -1.554100    
 H    5.530200     -9.8499998E-02  -1.715700    
 H    2.635800     -0.8913000      0.6569000    
 H    2.847400      0.8708000      0.8688000    
 H    6.201200      -1.594000     -4.1800000E-02
 H    4.782000      -1.489700      0.7546000    
 H  -0.8445000       2.624800      0.7505000    
 H   -3.848000      -1.235400     -8.3800003E-02
 H   -3.201000       3.012300      0.2486000    
 H    5.886700       2.841600      0.1978000    
 H   -2.673300      -2.660800      -1.072300    
 H   -2.335700      -4.793200     -0.2194000    
 H   -1.234800      -4.443700      -1.367100    
 H   -6.374300       2.570100     -0.4703000    


%chk=000155218-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000155218

0 1
O 0.316078 0.845072 0.401447
O 5.934843 1.781348 -0.846006
O 0.711009 -0.258340 -1.632905
O 5.594207 1.106262 1.351165
O -0.177323 -2.046908 0.762035
O -5.913030 2.286990 0.369609
O -6.131384 -0.000954 0.028513
N 5.046476 -1.577268 0.428270
N -1.747097 -2.612998 -0.854462
N -1.233652 -3.921885 -1.052269
C 3.588286 -0.205346 -1.083385
C 5.018056 -0.449165 -0.508263
C 2.535645 0.017254 0.019288
C 1.141134 0.144366 -0.538503
C -1.091495 0.826833 0.290850
C 5.539942 0.854349 0.126737
C -1.841302 -0.371763 0.108854
C -1.733118 2.073540 0.447769
C -3.250427 -0.270682 0.084395
C -3.903537 0.977223 0.231840
C -3.136246 2.154617 0.420502
C -1.175086 -1.722963 0.045181
C -5.388013 0.996613 0.195483
H 3.315211 -1.099585 -1.668784
H 3.615448 0.656516 -1.775458
H 5.671462 -0.677618 -1.368850
H 2.505951 -0.862882 0.694283
H 2.754581 0.896089 0.651392
H 5.929960 -2.093859 0.436282
H 4.749307 -1.328064 1.378020
H -1.113442 2.963757 0.586591
H -3.870998 -1.168124 -0.013082
H -3.644404 3.114456 0.541900
H 6.236490 2.623202 -0.406648
H -2.435506 -2.303021 -1.542492
H -1.392446 -4.498139 -0.214141
H -0.227892 -3.879336 -1.274970
H -6.905589 2.236311 0.333613


