%chk=000168150.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168150

0 1
 O   -3.669300     -0.3531000     -1.9999999E-04
 O   -3.224400       1.905400      3.0000001E-04
 O    3.745400       1.215000     -3.3000000E-03
 N    2.584900     -0.8313000      1.3000000E-03
 N    6.155300      2.8600000E-02 -4.9999999E-03
 C    1.244300     -0.4442000      1.3000000E-03
 C   -1.436300      0.3282000      1.7000000E-03
 C   0.9086000      0.9096000      1.5000000E-03
 C   0.2398000      -1.411900      1.3000000E-03
 C  -0.4317000       1.295900      1.8000000E-03
 C   -1.100600      -1.025700      1.5000000E-03
 C   -2.833800      0.7304000      8.9999998E-04
 C    3.727100     -1.1700000E-02  1.4000000E-03
 C    4.994100     -0.8495000      1.4000000E-03
 C   -5.075800     -8.5800000E-02 -2.4000001E-03
 C   -5.827500      -1.399800     -3.4000000E-03
 H    1.628100       1.716200      1.9000000E-03
 H   0.4873000      -2.470500      1.2000001E-03
 H  -0.6729000       2.355800      1.9000000E-03
 H   -1.848600      -1.813700      1.4000000E-03
 H    2.745200      -1.836500      2.3000001E-03
 H    5.002900      -1.495500     -0.8825000    
 H    5.006800      -1.474200      0.9001000    
 H   -5.337400      0.4915000      0.8912000    
 H   -5.334700      0.4913000     -0.8969000    
 H   -6.908100      -1.232300     -5.1000002E-03
 H   -5.560200      -1.995700     -0.8824000    
 H   -5.563000      -1.995400      0.8765000    
 H    6.172300      0.5667000     -0.8708000    
 H    7.004100     -0.5358000     -7.7999998E-03


%chk=000168150-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168150

0 1
O -3.744888 -0.391354 0.023124
O -3.273161 1.889737 -0.105736
O 3.844553 1.171626 -0.134524
N 2.659812 -0.857406 -0.018733
N 6.252525 -0.080847 0.199802
C 1.305887 -0.428208 -0.028322
C -1.443195 0.276406 -0.037100
C 0.927014 0.941442 -0.096387
C 0.302098 -1.435831 0.035837
C -0.438532 1.276021 -0.100550
C -1.057758 -1.088229 0.032176
C -2.868328 0.700629 -0.045089
C 3.823262 -0.092162 -0.091322
C 5.117385 -0.928925 -0.136627
C -5.199801 -0.051423 0.019164
C -5.961061 -1.371878 0.071032
H 1.699541 1.710334 -0.140205
H 0.593067 -2.493026 0.088743
H -0.750489 2.324384 -0.152160
H -1.830176 -1.860056 0.082043
H 2.797799 -1.869129 0.056229
H 5.174318 -1.373185 -1.161204
H 5.014171 -1.782448 0.570179
H -5.407701 0.593497 0.892136
H -5.418250 0.529865 -0.894920
H -7.048973 -1.176317 0.069500
H -5.720704 -2.000396 -0.803561
H -5.711990 -1.936106 0.986163
H 6.034052 0.919416 0.152875
H 7.151421 -0.344428 -0.201463


