%chk=000155703.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155703

0 1
 O   9.2200004E-02  -1.454900     -0.4209000    
 O    2.518500      -2.708400      -1.084500    
 O  -0.2971000      2.3000000E-02  -2.624900    
 N    2.797800      0.2958000       1.060900    
 N   -4.648600      0.8495000       1.357000    
 C    2.375200      -1.959700      0.1258000    
 C    2.849500     -0.5288000     -0.1387000    
 C    3.306800       1.634600      0.7954000    
 C   0.9195000      -2.039000      0.5806000    
 C    3.235300       2.487900       2.058500    
 C    2.506200       2.266400     -0.3390000    
 C   -1.074100     -0.8772000      4.4999998E-03
 C   -1.624300      0.2003000     -0.6830000    
 C   -1.701800      -1.385600       1.137800    
 C   -2.813100      0.7749000     -0.2332000    
 C   -3.446300      0.2690000      0.9020000    
 C   -2.890800     -0.8112000       1.587500    
 C  -0.9787000      0.7433000      -1.870300    
 C   -1.126300       2.220100      -2.215500    
 H    3.017400      -2.436100      0.8752000    
 H    2.230900     -0.1294000     -0.9486000    
 H    3.874900     -0.5720000     -0.5292000    
 H    4.361100       1.579000      0.4956000    
 H    3.341900     -0.1403000       1.804600    
 H   0.8290000      -1.531300       1.548800    
 H   0.6305000      -3.091100      0.6897000    
 H    3.638700       3.489400       1.874100    
 H    2.202700       2.600100       2.408000    
 H    3.820100       2.039300       2.869200    
 H    2.763100       1.853200      -1.319500    
 H    2.722500       3.339700     -0.4017000    
 H    1.426000       2.167200     -0.1825000    
 H    1.914600      -2.325000      -1.743500    
 H   -1.324200      -2.244800       1.683600    
 H   -3.267900       1.608300     -0.7633000    
 H   -3.378900      -1.218600       2.469300    
 H   -1.196700       2.826500      -1.308500    
 H   -2.010300       2.364300      -2.841200    
 H  -0.2357000       2.548700      -2.759800    
 H   -5.052000       1.633300      0.8613000    
 H   -5.107500      0.4832000       2.180400    


%chk=000155703-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000155703

0 1
O 0.080805 -0.062419 0.156435
O 1.610664 -1.864099 -1.317586
O -0.260729 -0.138417 -2.568761
N 3.680763 0.161557 1.105703
N -5.554064 0.161104 0.432832
C 2.074297 -1.381533 -0.024834
C 3.018731 -0.162475 -0.180072
C 4.250755 1.533204 1.228813
C 0.889130 -1.062777 0.902686
C 5.262799 1.546436 2.392878
C 3.126407 2.565674 1.466746
C -1.307864 -0.111770 0.226139
C -2.055345 0.204284 -0.954471
C -1.992719 -0.364932 1.439972
C -3.470281 0.316230 -0.852697
C -4.160360 0.066812 0.360332
C -3.393871 -0.289095 1.508641
C -1.401860 0.348647 -2.294083
C -2.163156 1.076652 -3.403100
H 2.641485 -2.223416 0.420486
H 2.416434 0.704828 -0.503207
H 3.731888 -0.393557 -1.003715
H 4.795064 1.822913 0.294428
H 4.390729 -0.547578 1.339433
H 1.248245 -0.620558 1.850192
H 0.278879 -1.968057 1.079830
H 5.678427 2.559098 2.539696
H 4.765516 1.233651 3.330002
H 6.108149 0.857278 2.200908
H 2.361148 2.524169 0.671631
H 3.539152 3.591652 1.489626
H 2.625423 2.359661 2.430128
H 0.960346 -1.201439 -1.707114
H -1.417486 -0.597376 2.342117
H -4.052177 0.568086 -1.745956
H -3.901938 -0.490158 2.459721
H -2.591444 2.031408 -3.051129
H -2.994283 0.451121 -3.781577
H -1.469142 1.261915 -4.236877
H -6.105103 0.405046 -0.384074
H -6.043314 -0.028170 1.301877


