%chk=000171438.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171438

0 1
 O  -0.8636000       1.431000      -1.000900    
 O   0.6985000       1.153400       1.499100    
 O   -3.625600      0.4412000       1.210300    
 O   -3.025200       2.362400     -0.8258000    
 O    1.843000       3.656900     -0.2941000    
 O   -1.933800      -1.007400      -1.660900    
 O   -5.173300      0.6266000      -1.413200    
 O   -4.517000      -2.891800      0.2471000    
 O   -2.870300      -2.107100       1.664500    
 N    2.309300      0.1557000      6.1299998E-02
 N    2.357300      -1.778100      -1.047200    
 N    4.568400      0.1802000      0.9540000    
 N    5.810700      -1.808300      0.2770000    
 N    4.850700      -3.517500      -1.095600    
 C  -0.2253000       2.446800     -0.2209000    
 C  -0.2930000       2.171400       1.277100    
 C   -2.223400       1.191700     -0.6282000    
 C   -2.277300      0.6952000      0.8217000    
 C   -1.653600       1.709900       1.778300    
 C    1.267500       2.368000     -0.4900000    
 C   -2.809600      0.1144000      -1.558600    
 C    1.787800       1.415300      0.5927000    
 C   -4.191500     -0.3559000      -1.072500    
 C   -4.274700     -0.5711000      0.4477000    
 C   -3.786500      -1.926200      0.8739000    
 C    3.561500     -0.3571000      0.2490000    
 C    1.623700     -0.7339000     -0.7230000    
 C    3.242400       3.640900     -0.5332000    
 C    3.570900      -1.555600     -0.4465000    
 C    4.751600      -2.290900     -0.4166000    
 C   -4.154800      -4.239700      0.5637000    
 C    5.655600     -0.6203000      0.9099000    
 H  -0.6539000       3.422000     -0.4767000    
 H   2.5900001E-02   3.052600       1.848100    
 H   -1.672300     -0.2126000      0.9210000    
 H   -1.574300       1.266400       2.778100    
 H   -2.323200       2.574000       1.873500    
 H    1.481500       2.035400      -1.513000    
 H   -2.896000      0.5174000      -2.575000    
 H    2.574900       1.848300       1.214300    
 H   -4.474200      -1.270800      -1.605400    
 H   -5.326100     -0.5233000      0.7599000    
 H   -3.220200       2.450800      -1.773500    
 H   -1.874600      -1.441600     -0.7953000    
 H   -5.156600      0.7354000      -2.379300    
 H   0.6000000     -0.5840000      -1.023700    
 H    3.566900       4.677700     -0.6651000    
 H    3.492100       3.093200      -1.447700    
 H    3.798100       3.238500      0.3167000    
 H   -4.810400      -4.909100      5.0000002E-04
 H   -4.294200      -4.428300       1.632500    
 H   -3.118900      -4.432100      0.2687000    
 H    6.523300     -0.2644000       1.454900    
 H    4.062200      -3.879200      -1.614800    
 H    5.719800      -4.032800      -1.059800    


%chk=000171438-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171438

0 1
O -0.748335 1.528278 -1.065697
O 0.589336 1.026096 1.525430
O -3.680884 0.269272 0.894605
O -2.921116 2.384185 -0.918969
O 1.844636 3.764701 0.131162
O -1.631166 -1.012142 -1.938970
O -4.973231 0.741849 -1.820507
O -4.687497 -2.722927 1.174800
O -2.702103 -2.625255 -0.014119
N 2.224746 0.109078 0.020276
N 2.316471 -1.801745 -1.247649
N 4.514259 0.059511 0.992248
N 5.796326 -1.897723 0.229295
N 4.913663 -3.510002 -1.259682
C -0.210651 2.544424 -0.130848
C -0.407620 2.121763 1.338815
C -2.118606 1.169566 -0.793329
C -2.246575 0.575393 0.632088
C -1.800587 1.585410 1.687405
C 1.313991 2.475560 -0.304382
C -2.545890 0.112449 -1.850828
C 1.757531 1.328337 0.671754
C -4.007137 -0.351287 -1.541904
C -4.274126 -0.698577 -0.052167
C -3.798894 -2.103048 0.335333
C 3.499971 -0.436453 0.225861
C 1.556694 -0.751967 -0.878944
C 3.267719 3.938837 -0.192829
C 3.534637 -1.613152 -0.564803
C 4.750420 -2.355990 -0.539852
C -4.274808 -4.049868 1.715279
C 5.623748 -0.738432 0.936473
H -0.625130 3.537713 -0.364218
H -0.138127 2.974655 1.993185
H -1.635248 -0.344528 0.699191
H -1.781748 1.119147 2.686961
H -2.515107 2.427302 1.705068
H 1.595824 2.253978 -1.352570
H -2.515715 0.598924 -2.843450
H 2.594839 1.669438 1.309581
H -4.232330 -1.230896 -2.178531
H -5.358030 -0.624492 0.126365
H -3.883792 2.117677 -0.987940
H -1.848861 -1.699684 -1.235373
H -4.961822 0.948809 -2.789690
H 0.542917 -0.557630 -1.232237
H 3.533099 4.946524 0.161213
H 3.431632 3.872952 -1.288161
H 3.906090 3.187656 0.314573
H -5.125343 -4.373604 2.328897
H -3.361284 -3.934631 2.320689
H -4.082397 -4.749732 0.885978
H 6.484007 -0.412185 1.528682
H 4.148948 -3.857718 -1.834162
H 5.802854 -4.002216 -1.210397


