%chk=000044272.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044272

0 1
 N   -2.545900      -3.482600       1.441800    
 C   0.7412000      0.4792000     -4.3900002E-02
 C   9.3800001E-02 -0.7471000     -0.3331000    
 C   -1.307300     -0.8129000     -0.4282000    
 C   -2.112100      0.3191000     -0.2421000    
 C    2.179000      0.5104000      4.6000000E-02
 C   -1.497200       1.550500      4.7400001E-02
 C  -9.3500003E-02   1.611200      0.1411000    
 C    2.912100     -0.6881000     -0.1565000    
 C   0.8500000      -1.906200     -0.5268000    
 C    2.237600      -1.877700     -0.4396000    
 C   -1.971700      -2.129800     -0.7375000    
 C   -3.512600      0.2516000     -0.3375000    
 C    2.934900       1.676300      0.3276000    
 C   -2.299300       2.689400      0.2361000    
 C    4.315100     -0.6920000     -7.5400002E-02
 C   -4.294900       1.390400     -0.1480000    
 C   -3.688700       2.608900      0.1387000    
 C    4.330200       1.659200      0.4054000    
 C    5.020600      0.4742000      0.2039000    
 C   -2.291500      -2.884300      0.4807000    
 H   0.3495000       2.579800      0.3664000    
 H   0.4277000      -2.885500     -0.7217000    
 H    2.787500      -2.804900     -0.5910000    
 H   -1.378800      -2.743400      -1.423200    
 H   -2.872900      -1.999900      -1.345300    
 H   -4.061100     -0.6635000     -0.5310000    
 H    2.449300       2.634300      0.4947000    
 H   -1.846000       3.652600      0.4616000    
 H    4.875700      -1.612100     -0.2309000    
 H   -5.376800       1.325300     -0.2181000    
 H   -4.295700       3.496900      0.2883000    
 H    4.871800       2.575000      0.6237000    
 H    6.104500      0.4556000      0.2633000    


%chk=000044272-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044272

0 1
N -2.687927 -3.693535 1.274350
C 0.734351 0.457657 -0.060870
C 0.074647 -0.815394 -0.336214
C -1.343219 -0.873474 -0.455973
C -2.146490 0.293220 -0.244087
C 2.204054 0.512723 0.034822
C -1.481374 1.556560 0.034439
C -0.065149 1.603469 0.105041
C 2.966498 -0.697385 -0.123130
C 0.901727 -2.002997 -0.467030
C 2.274777 -1.945792 -0.364504
C -2.026177 -2.193413 -0.834969
C -3.587489 0.286026 -0.276605
C 2.919828 1.722341 0.280587
C -2.268782 2.742852 0.235507
C 4.389928 -0.663644 -0.032550
C -4.321874 1.452507 -0.069624
C -3.658861 2.698628 0.182320
C 4.321096 1.739932 0.365690
C 5.066771 0.539308 0.208495
C -2.393686 -3.025013 0.330710
H 0.396187 2.575130 0.308302
H 0.427995 -2.976812 -0.619138
H 2.872235 -2.860407 -0.457989
H -1.377260 -2.794271 -1.495657
H -2.942312 -1.998385 -1.419552
H -4.128373 -0.651653 -0.436572
H 2.380107 2.665511 0.407006
H -1.750416 3.687533 0.438054
H 4.948971 -1.598899 -0.154318
H -5.416503 1.418659 -0.090952
H -4.250495 3.606446 0.340153
H 4.842119 2.684765 0.554629
H 6.159594 0.557709 0.276530


