%chk=000169317.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169317

0 1
 O  -0.5721000      -2.173000      0.8232000    
 O   -2.087500       2.184400     -5.0799999E-02
 N    1.012700     -0.5159000      0.4261000    
 N   -1.355300     -8.5000005E-03  0.3896000    
 N   0.7983000       2.906200     -0.2902000    
 N    2.448700       1.430500     -2.7899999E-02
 C    2.144900      -1.420400      0.5836000    
 C    1.232500      0.8237000      0.1361000    
 C   -2.721400     -0.4997000      0.5355000    
 C  -0.3153000     -0.9914000      0.5656000    
 C   0.2007000       1.708500     -2.0099999E-02
 C   -1.180700       1.369500      9.3199998E-02
 C    2.514700      -2.045300     -0.7592000    
 C   -3.260700     -0.9739000     -0.8116000    
 C    3.681300      -3.010900     -0.6183000    
 C    2.151800       2.687800     -0.2841000    
 C   -4.692800      -1.471600     -0.6908000    
 H    2.993800     -0.8792000       1.017500    
 H    1.870400      -2.209500       1.293500    
 H   -2.752900      -1.315900       1.266000    
 H   -3.354700      0.3056000      0.9256000    
 H    1.652700      -2.579300      -1.177100    
 H    2.780100      -1.262600      -1.479800    
 H   -3.224100     -0.1566000      -1.541900    
 H   -2.631100      -1.778900      -1.208800    
 H   0.3340000       3.788200     -0.4622000    
 H    4.570100      -2.498500     -0.2364000    
 H    3.433600      -3.827800      6.7000002E-02
 H    3.931800      -3.447000      -1.590400    
 H    2.859500       3.482500     -0.4726000    
 H   -4.757600      -2.314100      5.1000002E-03
 H   -5.355200     -0.6771000     -0.3324000    
 H   -5.060800      -1.806900      -1.665500    


%chk=000169317-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169317

0 1
O -0.560491 -2.162170 0.771840
O -2.171029 2.209935 -0.033748
N 1.025384 -0.476050 0.430040
N -1.345633 0.023911 0.391090
N 0.824722 3.001026 -0.262024
N 2.500320 1.478975 -0.007699
C 2.146129 -1.441279 0.561116
C 1.261112 0.860664 0.150082
C -2.740745 -0.484606 0.511353
C -0.305812 -0.945333 0.541277
C 0.207491 1.773562 -0.000855
C -1.184861 1.421345 0.102229
C 2.532949 -2.084498 -0.788685
C -3.289965 -1.015135 -0.831350
C 3.700829 -3.078284 -0.616597
C 2.191191 2.777585 -0.255598
C -4.737999 -1.525598 -0.676621
H 3.003789 -0.888716 0.982573
H 1.823177 -2.219725 1.272793
H -2.736174 -1.290223 1.264174
H -3.356506 0.358954 0.866576
H 1.650475 -2.607059 -1.202812
H 2.817007 -1.287848 -1.502115
H -3.254483 -0.203231 -1.582016
H -2.637945 -1.833931 -1.188397
H 0.330508 3.878908 -0.421365
H 4.600691 -2.573832 -0.217335
H 3.431299 -3.895265 0.078510
H 3.973690 -3.536554 -1.583805
H 2.924112 3.560976 -0.430273
H -4.793451 -2.352301 0.056118
H -5.411837 -0.718888 -0.332147
H -5.128544 -1.902414 -1.638827


