%chk=000044022.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044022

0 1
 N    1.495200       2.453200     -0.1441000    
 C    2.396500     -0.3708000     -0.3812000    
 C   0.5588000      -1.978900      0.4938000    
 C    2.661800     -0.7125000       1.101100    
 C    2.423600      -1.687500      -1.188000    
 C    1.566400      -1.667400       1.623200    
 C    1.334000      -2.647500     -0.6638000    
 C   0.9833000      0.1980000     -0.4720000    
 C   2.5400000E-02 -0.6490000     -3.1399999E-02
 C   0.8000000       1.570700      -1.028800    
 C   -1.397800     -0.3816000     -8.6000003E-03
 C   -2.193800     -0.7121000      -1.109500    
 C   -1.985400      0.2083000       1.114500    
 C   0.9561000       2.385000       1.226100    
 C    1.442400       3.848700     -0.6160000    
 C   -3.564600     -0.4552000      -1.087500    
 C   -3.356100      0.4652000       1.136600    
 C   -4.145700      0.1335000      3.5500001E-02
 H    3.154700      0.3204000     -0.7629000    
 H  -0.2388000      -2.635500      0.8568000    
 H    2.728600      0.1821000       1.726500    
 H    3.637900      -1.206400       1.192200    
 H    3.408000      -2.164000      -1.109200    
 H    2.254900      -1.485400      -2.253200    
 H    2.023000      -2.592300       1.995400    
 H    1.051200      -1.204100       2.474000    
 H   0.6504000      -2.911100      -1.480500    
 H    1.794600      -3.582600     -0.3235000    
 H  -0.2582000       1.838700      -1.130200    
 H    1.231900       1.596900      -2.036800    
 H   -1.756500      -1.172000      -1.992800    
 H   -1.387600      0.4669000       1.985000    
 H    1.013600       1.408100       1.704300    
 H  -8.9800000E-02   2.714000       1.259300    
 H    1.530700       3.055700       1.876700    
 H    2.030800       4.499000      4.0600002E-02
 H   0.4158000       4.229700     -0.6580000    
 H    1.882800       3.927900      -1.616100    
 H   -4.179500     -0.7136000      -1.944600    
 H   -3.809100      0.9221000       2.011600    
 H   -5.213100      0.3333000      5.2900001E-02


%chk=000044022-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044022

0 1
N 1.597213 2.584842 -0.289515
C 2.349187 -0.365925 -0.296983
C 0.555393 -1.982635 0.627168
C 2.679095 -0.698188 1.194465
C 2.408709 -1.705648 -1.100246
C 1.577628 -1.651260 1.761551
C 1.337511 -2.690224 -0.528804
C 0.931183 0.184574 -0.391147
C -0.032742 -0.679583 0.075013
C 0.727713 1.577114 -0.959140
C -1.504198 -0.469815 0.067547
C -2.185411 0.055862 -1.068465
C -2.288175 -0.827281 1.202551
C 1.153028 2.878376 1.088586
C 1.752140 3.814987 -1.089260
C -3.585306 0.239655 -1.060394
C -3.686759 -0.640550 1.214154
C -4.344142 -0.101839 0.082836
H 3.072432 0.371947 -0.684882
H -0.237837 -2.652884 1.004247
H 2.738527 0.238386 1.776768
H 3.677617 -1.174337 1.242543
H 3.425697 -2.135099 -1.014453
H 2.229333 -1.506855 -2.172833
H 2.023544 -2.593910 2.134318
H 1.050144 -1.181467 2.612531
H 0.627756 -3.005116 -1.315224
H 1.812615 -3.607773 -0.130908
H -0.347871 1.872027 -0.905974
H 1.010712 1.577162 -2.033020
H -1.614906 0.280132 -1.976544
H -1.791550 -1.235449 2.090886
H 1.057030 1.937866 1.657360
H 0.163172 3.401277 1.125936
H 1.900071 3.517539 1.593352
H 2.461799 4.496435 -0.585766
H 0.792518 4.373753 -1.240481
H 2.164233 3.566918 -2.083986
H -4.085523 0.638512 -1.950525
H -4.264431 -0.913053 2.105023
H -5.430745 0.039428 0.089115


