%chk=000071345.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071345

0 1
 O   -1.603100       2.583800      0.3947000    
 O   -6.244000      -1.489800     -0.5006000    
 O   -5.667800      -2.189200       1.615500    
 N    3.494700      0.4614000     -0.1549000    
 N    5.319500     -0.5260000       1.048800    
 N    6.382800      -1.372100       1.102600    
 C    1.222800       2.255900     -0.1246000    
 C    1.260400       1.018800      -1.027200    
 C    2.650400       2.760600      0.1098000    
 C    2.161200     -7.3100001E-02 -0.4499000    
 C    3.543100       1.663800      0.6879000    
 C   0.3528000       3.350500     -0.7376000    
 C   -1.087300       2.896600     -0.8918000    
 C    4.589100     -0.4099000     -9.8800004E-02
 C    4.919700      -1.154100      -1.231500    
 C    6.001700      -2.015000      -1.176600    
 C   -2.556900       1.601300      0.4566000    
 C    6.705500      -2.093700      8.2999999E-03
 C   -2.660400      0.8141000       1.597500    
 C   -3.409000       1.401300     -0.6231000    
 C    7.879100      -3.005400      0.1197000    
 C   -3.629700     -0.1871000       1.659700    
 C   -4.378500      0.4003000     -0.5610000    
 C   -4.488700     -0.3939000      0.5804000    
 C   -5.498800      -1.438400      0.6457000    
 C   -7.275900      -2.480600     -0.5574000    
 C   -7.982700      -2.380400      -1.892300    
 H   0.8092000       1.965700      0.8504000    
 H   0.2651000      0.5821000      -1.152900    
 H    1.622800       1.296300      -2.025500    
 H    3.078700       3.111500     -0.8383000    
 H    2.641800       3.617800      0.7934000    
 H    2.205800     -0.8975000      -1.170700    
 H    1.721800     -0.4759000      0.4714000    
 H    3.223900       1.412900       1.707100    
 H    4.566400       2.055500      0.7470000    
 H   0.3809000       4.230500     -8.2599998E-02
 H   0.7475000       3.658600      -1.713100    
 H   -1.675200       3.725800      -1.303600    
 H   -1.143400       2.064700      -1.601600    
 H    4.355900      -1.062100      -2.155000    
 H    6.281300      -2.602700      -2.044400    
 H   -1.992100      0.9716000       2.439300    
 H   -3.378600       2.018600      -1.515700    
 H    8.325200      -2.951900       1.118200    
 H    8.647600      -2.727800     -0.6086000    
 H    7.574800      -4.041600     -5.8899999E-02
 H   -3.698100     -0.7948000       2.558200    
 H   -5.030300      0.2797000      -1.421700    
 H   -7.990300      -2.308500      0.2552000    
 H   -6.831000      -3.475500     -0.4461000    
 H   -7.275700      -2.531400      -2.714700    
 H   -8.415800      -1.383500      -2.024900    
 H   -8.779600      -3.125200      -1.970000    


%chk=000071345-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071345

0 1
O -1.541417 1.473225 0.334272
O -7.432130 -0.916951 -0.623556
O -7.272469 -1.215613 1.684589
N 4.011143 0.049948 0.205047
N 6.315130 0.428577 0.514874
N 7.633004 0.124089 0.320245
C 1.429128 1.463067 0.036328
C 1.794435 0.294397 -0.912103
C 2.730518 2.171140 0.486345
C 2.814313 -0.671855 -0.261959
C 3.729734 1.182363 1.119709
C 0.450624 2.476287 -0.605759
C -0.934165 1.916504 -0.940048
C 5.314211 -0.371349 -0.029050
C 5.651274 -1.547837 -0.779365
C 7.004513 -1.840375 -0.966213
C -2.825134 0.923631 0.301564
C 7.994696 -0.980733 -0.410312
C -3.339891 0.507710 1.558524
C -3.604295 0.770586 -0.876026
C 9.478381 -1.221746 -0.570735
C -4.619840 -0.058077 1.634774
C -4.890229 0.201361 -0.786149
C -5.411185 -0.218727 0.463059
C -6.760536 -0.823087 0.603961
C -8.800407 -1.510543 -0.566266
C -9.340706 -1.512303 -1.992724
H 0.935213 1.038117 0.935417
H 0.894566 -0.289571 -1.187213
H 2.230032 0.702329 -1.846918
H 3.208086 2.661218 -0.386374
H 2.496399 2.963983 1.223606
H 3.094566 -1.447400 -0.991189
H 2.329712 -1.185156 0.598918
H 3.301737 0.781796 2.065804
H 4.691196 1.663387 1.353249
H 0.320390 3.336538 0.079592
H 0.891155 2.875754 -1.542984
H -1.573383 2.698792 -1.396820
H -0.875572 1.054675 -1.635272
H 4.888437 -2.214177 -1.189565
H 7.304947 -2.730329 -1.529777
H -2.718851 0.640905 2.449236
H -3.224801 1.088901 -1.850916
H 10.031273 -0.429204 -0.041550
H 9.779676 -1.209909 -1.635329
H 9.779662 -2.200417 -0.151709
H -5.033946 -0.385108 2.593980
H -5.501836 0.079178 -1.684435
H -9.416254 -0.901122 0.119894
H -8.721844 -2.527803 -0.141355
H -8.697995 -2.114798 -2.657406
H -9.395079 -0.486312 -2.395507
H -10.357586 -1.945359 -2.006608


