%chk=000036133.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036133

0 1
 O   0.2354000      0.2713000      0.9953000    
 N  -0.8940000      0.6422000      -1.006100    
 N   -4.335400      0.1428000      0.3273000    
 C    1.403000     -4.0399998E-02  -1.066200    
 C    1.338100      -1.519300      -1.467200    
 C    1.849100      -2.430000     -0.3553000    
 C    2.679100      0.3393000     -0.3484000    
 C    3.302000      -2.107100     -2.1800000E-02
 C    3.553500     -0.6335000      0.1715000    
 C   0.2043000      0.3094000     -0.2319000    
 C    2.990300       1.699400     -0.1781000    
 C    4.724100     -0.2279000      0.8321000    
 C   -2.178100      0.9962000     -0.4457000    
 C   -3.057800     -0.2321000     -0.2647000    
 C    4.150900       2.088900      0.4896000    
 C    5.018000       1.125300      0.9942000    
 C   -5.172800      -1.039500      0.5397000    
 C   -5.032800       1.112000     -0.5203000    
 C   -4.448300      -2.041700       1.417600    
 C   -6.328600       1.544800      0.1385000    
 H    1.366800      0.5477000      -1.994400    
 H   0.3165000      -1.810600      -1.739100    
 H    1.956800      -1.677200      -2.360800    
 H    1.224500      -2.313800      0.5388000    
 H    1.768800      -3.478600     -0.6637000    
 H    3.583800      -2.656500      0.8845000    
 H    3.948700      -2.458500     -0.8355000    
 H    2.324600       2.465800     -0.5683000    
 H    5.416800     -0.9697000       1.222700    
 H  -0.8157000      0.6185000      -2.018700    
 H   -2.018900       1.510900      0.5089000    
 H   -2.585600       1.711000      -1.164200    
 H   -2.497100     -0.9136000      0.3838000    
 H   -3.192100     -0.7432000      -1.227700    
 H    4.378100       3.143600      0.6133000    
 H    5.925000       1.426200       1.510100    
 H   -6.088400     -0.7786000       1.079800    
 H   -5.464500      -1.514700     -0.4052000    
 H   -4.459300       2.036200     -0.6289000    
 H   -5.231600      0.7188000      -1.524900    
 H   -3.674200      -2.594800      0.8764000    
 H   -4.003500      -1.570100       2.300900    
 H   -5.162200      -2.791300       1.778800    
 H   -7.112100      0.7841000      6.6100001E-02
 H   -6.184700       1.811300       1.191400    
 H   -6.717700       2.434900     -0.3696000    


%chk=000036133-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036133

0 1
O -0.294150 -1.042735 0.424263
N -0.755923 0.798599 -0.905180
N -4.436790 0.344203 -0.001506
C 1.396871 -0.373553 -1.272865
C 1.606671 -1.820575 -1.796443
C 2.069434 -2.771647 -0.672544
C 2.554393 0.098321 -0.378471
C 3.430931 -2.312343 -0.112726
C 3.486021 -0.816677 0.186220
C 0.055105 -0.251850 -0.507734
C 2.684901 1.483493 -0.099515
C 4.516905 -0.311941 1.021044
C -2.050978 1.061424 -0.247664
C -3.188241 0.145836 -0.776711
C 3.715057 1.973578 0.727606
C 4.639125 1.065144 1.296002
C -4.756980 -0.789076 0.906308
C -5.594476 0.813620 -0.805311
C -3.707214 -1.000455 2.014448
C -6.649111 1.566398 0.030615
H 1.345222 0.308314 -2.147145
H 0.669003 -2.190121 -2.252720
H 2.374215 -1.796015 -2.596659
H 1.307609 -2.767107 0.126279
H 2.153561 -3.804048 -1.061664
H 3.679899 -2.879841 0.804455
H 4.227808 -2.552206 -0.849120
H 1.962796 2.187185 -0.534072
H 5.232953 -1.018116 1.460977
H -0.460960 1.385741 -1.686138
H -1.931840 0.881070 0.833112
H -2.322233 2.122262 -0.391410
H -2.837588 -0.904673 -0.712222
H -3.360811 0.360505 -1.851037
H 3.797264 3.047357 0.929718
H 5.443145 1.428245 1.946124
H -5.733347 -0.577829 1.379313
H -4.878912 -1.741793 0.327563
H -5.203842 1.505437 -1.575554
H -6.089934 -0.028931 -1.354491
H -2.708302 -1.238014 1.606265
H -3.619680 -0.092002 2.637280
H -4.012701 -1.840876 2.665661
H -7.134397 0.910794 0.775350
H -6.174289 2.404213 0.570732
H -7.443391 1.968586 -0.625833


