%chk=000157516.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157516

0 1
 O   -4.095300       1.100800      0.2724000    
 O   -3.169700     -0.3668000      -1.247200    
 N   -7.215000     -0.9052000      0.2586000    
 C    3.296500      0.5182000      0.2563000    
 C    4.500200     -0.1768000     -0.3827000    
 C    1.981700     -1.9999999E-04 -0.3306000    
 C    5.841400      0.2363000      0.2311000    
 C   0.7773000      0.7165000      0.2833000    
 C    7.079600     -0.4899000     -0.3066000    
 C  -0.5355000      0.2199000     -0.3305000    
 C    8.378300     -7.5300001E-02  0.3894000    
 C   -1.757000      0.9378000      0.2432000    
 C    9.623300     -0.7351000     -0.2097000    
 C   -5.406100      0.7340000     -0.1702000    
 C   -3.062700      0.4668000     -0.3583000    
 C   -5.891800     -0.4527000      0.6656000    
 C    10.92130     -0.3072000      0.4573000    
 C   -6.297400       1.962500     -3.8899999E-02
 C   -7.140300      -1.664000     -0.9918000    
 C   -7.828800      -1.719900       1.309300    
 H    3.305100      0.3474000       1.339500    
 H    3.374800       1.600500      9.8600000E-02
 H    4.517800      3.5900000E-02  -1.458600    
 H    4.386400      -1.262900     -0.2773000    
 H    1.897800      -1.079100     -0.1524000    
 H    1.982500      0.1492000      -1.417200    
 H    5.975300       1.316100      8.7499999E-02
 H    5.791300      7.4199997E-02   1.315600    
 H   0.7618000      0.5516000       1.367300    
 H   0.8699000       1.797200      0.1208000    
 H    6.940700      -1.571800     -0.1924000    
 H    7.164200     -0.2935000      -1.382500    
 H  -0.5085000      0.3635000      -1.418100    
 H  -0.6344000     -0.8598000     -0.1617000    
 H    8.313100     -0.3248000       1.455600    
 H    8.487500       1.014500      0.3256000    
 H   -1.670500       2.014500      5.7999998E-02
 H   -1.800900      0.7675000       1.325000    
 H    9.681600     -0.4962000      -1.278400    
 H    9.527700      -1.824700     -0.1329000    
 H   -5.372300      0.4814000      -1.236100    
 H   -5.159200      -1.270800      0.6403000    
 H   -5.909100     -0.1225000       1.714100    
 H    11.77340     -0.8099000     -1.0500000E-02
 H    11.06950      0.7734000      0.3649000    
 H    10.91560     -0.5634000       1.521400    
 H   -5.871000       2.802500     -0.5985000    
 H   -7.307700       1.777100     -0.4154000    
 H   -6.365800       2.286400       1.005600    
 H   -6.485300      -2.539000     -0.9079000    
 H   -8.137300      -2.015200      -1.282700    
 H   -6.788700      -1.044900      -1.822400    
 H   -8.835600      -2.035500       1.013600    
 H   -7.238200      -2.615100       1.535300    
 H   -7.943600      -1.138500       2.231000    


%chk=000157516-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000157516

0 1
O -4.158093 1.162465 0.433807
O -3.269091 -0.136583 -1.292633
N -7.217924 -1.031759 0.059950
C 3.348557 0.544258 0.243660
C 4.557862 -0.293050 -0.230043
C 1.990803 -0.015636 -0.236509
C 5.916132 0.264977 0.251325
C 0.781384 0.819230 0.240849
C 7.125294 -0.574655 -0.219161
C -0.570268 0.255973 -0.249331
C 8.483786 -0.018927 0.264418
C -1.767018 1.088881 0.251214
C 9.692478 -0.861266 -0.203869
C -5.553086 0.822525 -0.019959
C -3.101598 0.615167 -0.302607
C -5.963755 -0.511130 0.650464
C 11.045500 -0.298984 0.283458
C -6.440160 1.998545 0.379224
C -6.994868 -1.766536 -1.204540
C -8.037187 -1.808669 1.011637
H 3.351774 0.596683 1.352784
H 3.463006 1.588319 -0.116511
H 4.555685 -0.344988 -1.339064
H 4.442921 -1.337320 0.129234
H 1.878128 -1.060531 0.121148
H 1.986167 -0.065560 -1.345344
H 6.032547 1.308490 -0.109762
H 5.917348 0.318893 1.360349
H 0.785619 0.866467 1.350284
H 0.897034 1.864786 -0.115261
H 7.007803 -1.618526 0.140667
H 7.125396 -0.627454 -1.328239
H -0.588241 0.221509 -1.354976
H -0.683165 -0.792034 0.091668
H 8.484575 0.035484 1.373442
H 8.604250 1.024095 -0.096963
H -1.643034 2.150545 -0.046800
H -1.825984 1.093104 1.355483
H 9.690675 -0.915261 -1.311877
H 9.571566 -1.903053 0.157538
H -5.518736 0.691769 -1.116839
H -5.122088 -1.238921 0.558840
H -6.126017 -0.324420 1.728383
H 11.892311 -0.919563 -0.063485
H 11.204732 0.729971 -0.091276
H 11.084008 -0.261708 1.388707
H -6.178443 2.909744 -0.185507
H -7.490387 1.732157 0.166791
H -6.338022 2.214429 1.457901
H -6.453351 -2.733846 -1.053267
H -7.966454 -1.984381 -1.683261
H -6.396935 -1.157640 -1.903064
H -8.997233 -2.079157 0.535415
H -7.547999 -2.755970 1.353265
H -8.260307 -1.195937 1.902943


