%chk=000042352.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042352

0 1
 O   -1.691300      -1.601200      0.8777000    
 N    4.988900     -0.1931000      0.4269000    
 N   -1.133000      0.4907000      4.7499999E-02
 C    2.436600     -0.3724000      -1.011700    
 C    3.074400      0.9866000     -0.6605000    
 C   0.9045000     -0.2819000      -1.056500    
 C    2.456700       1.602500      0.6075000    
 C   0.2967000      0.3540000      0.1965000    
 C    2.924200      -1.470200     -5.2900001E-02
 C    4.602900      0.8467000     -0.5377000    
 C   0.9380000       1.708700      0.4986000    
 C    4.451700      -1.501300      3.0300001E-02
 C    6.444300     -0.2563000      0.5571000    
 C   -2.016800     -0.5145000      0.4066000    
 C   -3.454700     -0.2292000      0.1662000    
 C   -4.316200      -1.284800     -4.9100000E-02
 C   -3.882700       1.082300      0.1666000    
 C   -5.666400      -1.017000     -0.2746000    
 C   -5.233000       1.349900     -5.8800001E-02
 C   -6.124800      0.3002000     -0.2794000    
 H    2.775300     -0.6526000      -2.019400    
 H    2.872800       1.678400      -1.490500    
 H   0.6175000      0.3140000      -1.934100    
 H   0.4768000      -1.279200      -1.219700    
 H    2.873800       2.603800      0.7702000    
 H    2.712200       1.011500       1.495000    
 H   0.4747000     -0.3096000       1.051400    
 H    2.562800      -2.446900     -0.3969000    
 H    2.515200      -1.324000      0.9535000    
 H    5.023500      0.6234000      -1.527800    
 H    5.019000       1.813500     -0.2272000    
 H   0.5317000       2.114800       1.433100    
 H   0.6806000       2.430100     -0.2882000    
 H    4.736500      -2.259300      0.7701000    
 H    4.866500      -1.818800     -0.9356000    
 H   -1.463900       1.313600     -0.4452000    
 H    6.731300     -0.9990000       1.309800    
 H    6.842000      0.7057000      0.8993000    
 H    6.934400     -0.5158000     -0.3883000    
 H   -3.974700      -2.315500     -5.3599998E-02
 H   -3.228300       1.924000      0.3682000    
 H   -6.360900      -1.834100     -0.4473000    
 H   -5.592100       2.375000     -5.4800000E-02
 H   -7.176300      0.5087000     -0.4533000    


%chk=000042352-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042352

0 1
O -1.609021 -1.607534 0.727741
N 5.013222 -0.242900 0.442155
N -1.138568 0.536084 -0.037854
C 2.496428 -0.340319 -1.083788
C 3.155262 1.012990 -0.675842
C 0.956783 -0.198772 -1.191538
C 2.506988 1.606258 0.600138
C 0.324665 0.387371 0.098834
C 2.927832 -1.476275 -0.119510
C 4.682792 0.831982 -0.523034
C 0.972479 1.742687 0.461439
C 4.462495 -1.546315 -0.000662
C 6.458256 -0.311326 0.726854
C -2.017966 -0.478064 0.301435
C -3.489771 -0.181045 0.137081
C -4.372621 -1.288236 0.060443
C -4.023942 1.133707 0.088163
C -5.760592 -1.088191 -0.088015
C -5.414743 1.334355 -0.056502
C -6.286016 0.224468 -0.151764
H 2.884123 -0.607767 -2.091413
H 2.988950 1.733765 -1.506757
H 0.708747 0.473364 -2.040129
H 0.494886 -1.181877 -1.401943
H 2.949696 2.600794 0.806770
H 2.757245 0.966034 1.466163
H 0.475771 -0.330596 0.925238
H 2.537644 -2.444595 -0.488613
H 2.504060 -1.320483 0.889336
H 5.124911 0.612301 -1.533610
H 5.140134 1.774633 -0.163999
H 0.532668 2.127279 1.401674
H 0.741379 2.482581 -0.337144
H 4.753676 -2.317735 0.736969
H 4.897964 -1.851906 -0.991690
H -1.490075 1.379098 -0.495226
H 6.650670 -1.083289 1.493712
H 6.807949 0.659375 1.122580
H 7.077334 -0.559188 -0.173960
H -3.942673 -2.292790 0.129970
H -3.372165 2.008526 0.202772
H -6.432931 -1.950922 -0.150751
H -5.818840 2.352448 -0.083045
H -7.364684 0.381426 -0.263678


