%chk=000173615.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173615

0 1
 O    2.133400      -2.893000      6.7599997E-02
 O    6.846100       1.929800      -1.404800    
 N   -6.057600      -1.123900     -0.7007000    
 N   -3.613800       4.095700      0.3413000    
 N    2.294700      -1.213000       1.666200    
 C   -4.829400      0.4989000      0.1852000    
 C   -4.431900       1.790700      0.7808000    
 C   -3.973300     -0.6009000     -0.1016000    
 C   -4.768700      -1.605600     -0.6566000    
 C   -4.029400       2.839100     -0.2726000    
 C   -6.104400      0.1471000     -0.1939000    
 C   -2.593700     -0.8387000      5.7999998E-02
 C   -4.251500      -2.841300      -1.061400    
 C   -2.062300      -2.070100     -0.3423000    
 C   -2.880300      -3.054500     -0.8933000    
 C   -2.529800       3.867300       1.298000    
 C   -3.194900       5.054600     -0.6821000    
 C  -0.6379000      -2.322500     -0.1818000    
 C   0.1827000      -1.650900      0.6562000    
 C    3.706800      -1.348000       1.946500    
 C    4.542500     -0.4758000       1.054900    
 C    1.628500      -2.003300      0.7447000    
 C    4.850600      0.8194000       1.453200    
 C    4.998700     -0.9728000     -0.1602000    
 C    5.626400       1.629800      0.6241000    
 C    5.774600     -0.1624000     -0.9891000    
 C    6.088300       1.138800     -0.5970000    
 C    7.285600       1.365500      -2.639300    
 H   -5.257000       2.185000       1.389000    
 H   -3.612500       1.582100       1.477100    
 H   -4.888700       3.021700     -0.9312000    
 H   -3.229600       2.429900     -0.9056000    
 H   -7.040800      0.6858000     -0.1504000    
 H   -6.853700      -1.635300      -1.056000    
 H   -1.979800     -4.3600000E-02  0.4684000    
 H   -4.887700      -3.608400      -1.490200    
 H   -2.465400      -4.011900      -1.202800    
 H   -2.104800       4.823500       1.627800    
 H   -1.712900       3.271800      0.8742000    
 H   -2.890700       3.392800       2.215700    
 H   -2.944300       6.019300     -0.2271000    
 H   -2.324400       4.702800      -1.247700    
 H   -4.011100       5.245200      -1.387900    
 H  -0.2348000      -3.127900     -0.7920000    
 H  -0.1711000     -0.8586000       1.306100    
 H    3.860200      -1.083400       2.999000    
 H    4.000600      -2.398900       1.837800    
 H    1.789900     -0.4891000       2.169500    
 H    4.494400       1.212700       2.401300    
 H    4.763500      -1.985500     -0.4751000    
 H    5.867400       2.642700      0.9348000    
 H    6.101100     -0.6069000      -1.923100    
 H    7.874100       2.132200      -3.154000    
 H    7.948800      0.5091000      -2.476700    
 H    6.441500       1.118600      -3.292100    


%chk=000173615-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173615

0 1
O 1.880048 -3.308227 0.656818
O 7.508784 1.873791 -1.120537
N -6.296780 -1.251046 -0.730542
N -3.624736 4.068748 0.082530
N 2.393117 -1.195236 1.502769
C -5.095480 0.496771 0.141023
C -4.719991 1.862989 0.660106
C -4.211090 -0.651203 -0.019504
C -4.996540 -1.730856 -0.568386
C -3.901785 2.685650 -0.372044
C -6.351973 0.088020 -0.301107
C -2.841936 -0.867352 0.256680
C -4.438628 -2.998941 -0.844148
C -2.258731 -2.134494 -0.008583
C -3.075558 -3.181396 -0.560635
C -2.675492 4.133634 1.211996
C -3.198668 4.939935 -1.033113
C -0.847062 -2.441089 0.251741
C 0.119559 -1.623178 0.769443
C 3.810613 -1.506625 1.746132
C 4.764172 -0.606531 0.967835
C 1.507151 -2.126048 0.959336
C 5.791601 0.115366 1.628208
C 4.657121 -0.485618 -0.438654
C 6.688253 0.930020 0.910247
C 5.544948 0.327202 -1.176774
C 6.567120 1.037831 -0.496884
C 7.437822 2.001450 -2.577434
H -5.624162 2.446843 0.912041
H -4.138286 1.754025 1.596317
H -4.491954 2.747913 -1.305431
H -2.958367 2.133608 -0.624228
H -7.283996 0.649522 -0.338017
H -7.083655 -1.787263 -1.088869
H -2.235338 -0.057285 0.677023
H -5.038583 -3.814691 -1.261774
H -2.609804 -4.153278 -0.762076
H -2.537671 5.186454 1.516594
H -1.667072 3.711501 0.961457
H -3.071062 3.584127 2.082743
H -3.089074 5.978695 -0.672533
H -2.225083 4.631062 -1.493335
H -3.967931 4.933092 -1.825660
H -0.511092 -3.459071 0.002629
H -0.096017 -0.585662 1.059984
H 4.033040 -1.437938 2.829416
H 3.925292 -2.566030 1.448053
H 2.065673 -0.247267 1.696330
H 5.894361 0.037656 2.717907
H 3.870468 -1.039596 -0.964409
H 7.484012 1.488255 1.412828
H 5.436303 0.394023 -2.263518
H 8.260327 2.680315 -2.846757
H 7.583437 1.023134 -3.075837
H 6.472575 2.439992 -2.898599


