%chk=000163880.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163880

0 1
 O    2.546300       3.612600     -0.1583000    
 N   -2.116400     -0.8618000      0.1890000    
 C   0.5751000      0.6180000      0.7400000    
 C  -0.2884000      0.6538000     -0.5207000    
 C  -0.8385000     -0.7983000     -0.5189000    
 C  -0.4470000      0.2339000       1.918900    
 C   -1.964200     -2.2600001E-02   1.439300    
 C   0.3851000       1.219400      -1.788600    
 C    1.142800       2.032800      0.9605000    
 C    1.670600     -0.4907000      0.4834000    
 C   0.1208000      -1.733400      -1.246600    
 C   -4.537700     -0.6039000      0.1503000    
 C   -3.246200     -0.4571000     -0.6310000    
 C    1.481900      -1.532100     -0.5146000    
 C    1.755200       1.851500      -1.566600    
 C   -5.810000     -0.2496000     -0.5278000    
 C   -5.256100      0.6313000      0.5534000    
 C    1.863800       2.590600     -0.2520000    
 C    2.872300     -0.4738000       1.203800    
 C    2.509800      -2.444000     -0.7783000    
 C    3.877700      -1.404200      0.9274000    
 C    3.703100      -2.372600     -6.2700003E-02
 H   -1.105000       1.373400     -0.3600000    
 H   -1.336000     -0.6981000      -1.499600    
 H  -0.4627000       1.017800       2.685500    
 H  -9.7000003E-02 -0.6823000       2.411500    
 H   -2.503400     -0.5139000       2.257200    
 H   -2.422100      0.9658000       1.301800    
 H  -0.2776000       2.002300      -2.185200    
 H   0.4515000      0.4952000      -2.604100    
 H    1.824700       2.064300       1.815900    
 H   0.3225000       2.730600       1.173900    
 H   0.2487000      -1.567100      -2.322100    
 H  -0.2007000      -2.770600      -1.092900    
 H   -4.565600      -1.472800      0.7966000    
 H   -3.144600      0.5636000      -1.021800    
 H   -3.340000      -1.131300      -1.493200    
 H    1.961900       2.555900      -2.380500    
 H    2.544400       1.093800      -1.594700    
 H   -6.690100     -0.8370000     -0.2961000    
 H   -5.775800      0.1205000      -1.545100    
 H   -4.861100       1.596300      0.2611000    
 H   -5.760400      0.6312000       1.512200    
 H    3.051700      0.2612000       1.982100    
 H    2.377400      -3.224700      -1.522300    
 H    4.808200      -1.371300       1.488100    
 H    4.497100      -3.086600     -0.2640000    


%chk=000163880-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163880

0 1
O 3.874732 2.792178 -0.000167
N -1.902691 -0.096979 -0.194468
C 0.584193 1.099490 0.453394
C -0.074405 1.447416 -0.917017
C -0.976498 0.254699 -1.319019
C -0.567731 1.118732 1.531198
C -1.969355 0.881641 0.910111
C 0.935998 1.889743 -2.027674
C 1.629924 2.206250 0.763365
C 1.236410 -0.304275 0.432043
C -0.105952 -0.976118 -1.654701
C -3.943406 -1.433778 0.398226
C -3.208871 -0.611805 -0.654818
C 0.889326 -1.282068 -0.544089
C 2.429300 1.709629 -1.650745
C -5.421979 -1.783538 0.175823
C -5.027307 -0.801607 1.289621
C 2.756478 2.280385 -0.272389
C 2.168031 -0.659476 1.443262
C 1.485021 -2.566817 -0.486010
C 2.760126 -1.938369 1.490864
C 2.418970 -2.902779 0.515374
H -0.735640 2.315639 -0.726636
H -1.557513 0.546060 -2.226522
H -0.575995 2.097685 2.051137
H -0.362414 0.343635 2.290062
H -2.645015 0.474052 1.681263
H -2.418059 1.857980 0.586896
H 0.766687 2.959380 -2.254496
H 0.735669 1.346588 -2.970199
H 2.078734 2.119590 1.768369
H 1.110245 3.189031 0.748511
H 0.431272 -0.812447 -2.612861
H -0.760365 -1.853442 -1.818150
H -3.316425 -2.204204 0.861658
H -3.886155 0.212732 -1.008391
H -3.018144 -1.257000 -1.535276
H 3.097576 2.179065 -2.394292
H 2.686659 0.631913 -1.620631
H -5.769476 -2.780997 0.459058
H -5.914158 -1.373134 -0.712650
H -5.258229 0.258133 1.135338
H -5.110296 -1.135226 2.328256
H 2.442659 0.073118 2.210538
H 1.204034 -3.314220 -1.239304
H 3.480308 -2.179242 2.280706
H 2.869728 -3.901241 0.539631


