%chk=000059232.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059232

0 1
 N  -0.7231000     -0.3192000     -0.9353000    
 C    1.712700     -0.3583000     -0.9413000    
 C    1.700600      -1.796100      -1.486100    
 C    2.943400     -7.4100003E-02 -0.1002000    
 C    2.033900      -2.810800     -0.3992000    
 C    3.435400      -2.563700      0.1507000    
 C    3.725200      -1.112500      0.4415000    
 C   0.4366000     -5.6299999E-02 -0.1455000    
 C    3.301200       1.259500      0.1632000    
 C    4.848600     -0.7954000       1.221700    
 C    2.534400       2.413900     -0.4023000    
 C    4.414300       1.559900      0.9473000    
 C    5.187600      0.5325000       1.477000    
 C   -1.962900     -4.9600001E-02 -0.1985000    
 C   -3.190700     -0.3873000      -1.046600    
 C    3.450900       3.477600     -0.9961000    
 C   -4.470200     -9.0999998E-02 -0.3041000    
 C   -5.047800      -1.079600      0.4776000    
 C   -5.046900       1.164700     -0.4166000    
 C   -6.231000     -0.8059000       1.163600    
 C   -6.230100       1.438500      0.2695000    
 C   -6.822100      0.4531000       1.059600    
 H    1.742700      0.2657000      -1.843400    
 H    2.458400      -1.880100      -2.278200    
 H   0.7497000      -2.056100      -1.962600    
 H    1.977800      -3.827300     -0.8055000    
 H    1.297100      -2.756500      0.4105000    
 H    4.174700      -2.914300     -0.5807000    
 H    3.565600      -3.160100       1.061700    
 H   0.4212000      0.9841000      0.1942000    
 H   0.4205000     -0.6662000      0.7671000    
 H    5.469400      -1.587600       1.633500    
 H  -0.7080000      0.2375000      -1.789300    
 H    1.842400       2.139700      -1.198800    
 H    1.929500       2.862800      0.3951000    
 H    4.695900       2.580100       1.187600    
 H    6.054400      0.7631000       2.089500    
 H   -1.983200     -0.6477000      0.7214000    
 H   -1.996100       1.007000      9.6500002E-02
 H   -3.171300      -1.445500      -1.339200    
 H   -3.174000      0.1817000      -1.985700    
 H    4.012400       4.027200     -0.2347000    
 H    2.850000       4.220500      -1.532800    
 H    4.160700       3.045900      -1.710200    
 H   -4.593900      -2.062500      0.5663000    
 H   -4.592400       1.939100      -1.027900    
 H   -6.691800      -1.572900       1.779400    
 H   -6.690200       2.419100      0.1891000    
 H   -7.743300      0.6665000       1.594000    


%chk=000059232-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059232

0 1
N -0.727836 0.022403 -0.840201
C 1.764211 -0.245853 -0.823546
C 1.747085 -1.670301 -1.434012
C 3.017342 0.021186 0.022230
C 2.046957 -2.743833 -0.367373
C 3.449221 -2.523256 0.233097
C 3.760511 -1.065264 0.572975
C 0.475379 0.011866 0.019925
C 3.433699 1.364284 0.295182
C 4.868760 -0.801623 1.417253
C 2.776104 2.577367 -0.360820
C 4.546178 1.593236 1.140936
C 5.259848 0.518417 1.712727
C -2.014438 0.105186 -0.118732
C -3.205301 0.015791 -1.107825
C 3.430411 2.927406 -1.725761
C -4.546504 0.030729 -0.390862
C -5.118001 -1.174726 0.093706
C -5.236106 1.247299 -0.151399
C -6.342655 -1.166782 0.798427
C -6.461747 1.261528 0.552895
C -7.019358 0.053365 1.031472
H 1.743429 0.479683 -1.664448
H 2.508150 -1.737362 -2.237723
H 0.755092 -1.837925 -1.891495
H 1.983337 -3.754933 -0.812267
H 1.281568 -2.702094 0.431401
H 4.207669 -2.870431 -0.500572
H 3.589516 -3.151372 1.134220
H 0.598881 0.952639 0.608683
H 0.354534 -0.798632 0.763998
H 5.427424 -1.646050 1.841192
H -0.658243 0.748175 -1.569470
H 1.692959 2.422155 -0.510990
H 2.873202 3.450536 0.312357
H 4.853150 2.625951 1.349588
H 6.111971 0.709337 2.374879
H -2.066509 -0.745339 0.588867
H -2.119630 1.034961 0.495003
H -3.081783 -0.911007 -1.698075
H -3.143843 0.865333 -1.817738
H 4.505650 3.146920 -1.598209
H 2.948915 3.812377 -2.182079
H 3.346293 2.084694 -2.436399
H -4.601039 -2.125221 -0.089930
H -4.812505 2.188186 -0.525353
H -6.770852 -2.108529 1.160680
H -6.982191 2.210752 0.725071
H -7.970705 0.061870 1.575318


