%chk=000154457.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154457

0 1
 O    4.940600      0.6226000     -2.0000001E-03
 O    4.384200      -1.500800      2.4599999E-02
 N    4.081200     -0.2868000      8.5000005E-03
 C   -2.079500     -0.9710000     -2.3700001E-02
 C   -2.378600      0.4142000      2.5400000E-02
 C   -3.201800      -1.997200     -5.6899998E-02
 C   -3.824300      0.8857000      6.1700001E-02
 C   -4.573500      -1.434400     -0.4074000    
 C   -4.840700     -0.1927000      0.4156000    
 C  -0.7257000      -1.413900     -1.4000000E-03
 C   -1.328200       1.376400     -3.9999999E-04
 C   0.3163000     -0.4541000      1.9000000E-03
 C   1.6899999E-02  0.9320000     -7.4000000E-03
 C    1.674900     -0.8744000      1.0800000E-02
 C    1.081000       1.875600     -1.9900000E-02
 C  -0.3560000      -2.779400      2.3499999E-02
 C   -1.555100       2.772800     -2.5200000E-02
 C    2.700600      7.4900001E-02  2.2000000E-03
 C    2.407100       1.434100     -1.5300000E-02
 C    1.988000      -2.236600      2.7500000E-02
 C   0.8041000       3.245600     -3.6699999E-02
 C   0.9769000      -3.185100      3.7000000E-02
 C  -0.5083000       3.692500     -4.2399999E-02
 H   -2.978500      -2.771100     -0.8004000    
 H   -3.251800      -2.476200      0.9292000    
 H   -3.938500       1.683400      0.8049000    
 H   -4.069900       1.300700     -0.9241000    
 H   -4.618800      -1.190200      -1.476200    
 H   -5.342800      -2.191300     -0.2176000    
 H   -4.778300     -0.4332000       1.484500    
 H   -5.854300      0.1790000      0.2283000    
 H   -1.107800      -3.565000      4.0399998E-02
 H   -2.564200       3.178300     -3.9400000E-02
 H    3.195500       2.185300     -2.4300000E-02
 H    2.932900      -2.746400      3.8899999E-02
 H    1.607200       3.979200     -4.8200000E-02
 H    1.216900      -4.244700      5.5700000E-02
 H  -0.7213000       4.757300     -6.0800001E-02


%chk=000154457-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154457

0 1
O 5.056559 0.785192 -0.008991
O 4.635588 -1.439940 0.040893
N 4.230097 -0.212332 0.013052
C -2.123333 -0.969181 -0.019656
C -2.416722 0.393263 0.018396
C -3.231733 -2.018965 -0.090465
C -3.852913 0.907835 0.089773
C -4.621638 -1.437463 -0.420870
C -4.885909 -0.184572 0.431464
C -0.734678 -1.432158 -0.000208
C -1.330765 1.368497 -0.001612
C 0.354671 -0.481301 0.004906
C 0.040193 0.921346 -0.012664
C 1.734464 -0.946142 0.019078
C 1.104077 1.894360 -0.030894
C -0.424332 -2.818942 0.033348
C -1.580294 2.770576 -0.030124
C 2.769526 0.086601 0.003568
C 2.460143 1.438907 -0.023565
C 1.981754 -2.346937 0.046430
C 0.807453 3.285259 -0.054339
C 0.909997 -3.259444 0.059042
C -0.530260 3.714561 -0.058493
H -2.968868 -2.776935 -0.852805
H -3.279616 -2.563556 0.876255
H -3.915721 1.713958 0.845908
H -4.121386 1.378152 -0.880032
H -4.667009 -1.163891 -1.493983
H -5.396832 -2.207145 -0.249118
H -4.810656 -0.449402 1.504993
H -5.907872 0.202965 0.263318
H -1.227261 -3.559886 0.048405
H -2.610743 3.135808 -0.037949
H 3.279676 2.163008 -0.036853
H 3.008329 -2.707192 0.058878
H 1.629548 4.008944 -0.069602
H 1.126636 -4.332659 0.087724
H -0.763772 4.783913 -0.082310


