%chk=000050518.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050518

0 1
 O    4.764600       1.583300      0.7512000    
 N  -0.5480000       1.192200     -0.8455000    
 N   -2.789100      0.5470000     -0.7414000    
 N   -1.053800      -1.063400     -0.4526000    
 C   -1.454200      0.1586000     -0.6334000    
 C   0.8004000       1.292000     -0.4403000    
 C   -2.074100      -2.114700     -0.3543000    
 C   -1.480500      -3.454800     -7.8100003E-02
 C   -3.443500       1.687400     -0.2207000    
 C    1.207800      0.7271000      0.7677000    
 C    1.723500       1.954000      -1.248700    
 C    3.464800       1.486900      0.3599000    
 C    2.540500      0.8246000       1.168000    
 C    3.056200       2.051400     -0.8486000    
 C   -1.107800      -4.284000      -1.136200    
 C   -1.297200      -3.878800       1.238100    
 C   -4.644500       2.115300     -0.7822000    
 C   -2.884200       2.378800      0.8516000    
 C  -0.5524000      -5.537100     -0.8781000    
 C  -0.7416000      -5.131900       1.496100    
 C  -0.3693000      -5.961100      0.4380000    
 C   -5.289400       3.240600     -0.2689000    
 C   -3.529200       3.504100       1.364800    
 C   -4.731800       3.934900      0.8045000    
 C    5.750200       1.643300     -0.2787000    
 C    7.029100       1.081600      0.2477000    
 C    7.653400      2.2900000E-02 -0.2800000    
 H   -2.793200      -1.875200      0.4406000    
 H   -2.645900      -2.171000      -1.290100    
 H  -0.8668000       1.979700      -1.403500    
 H   -3.455700     -0.1525000      -1.057600    
 H   0.5034000      0.2203000       1.421900    
 H    1.415400       2.402200      -2.189800    
 H    2.852300      0.3860000       2.112000    
 H    3.736800       2.599100      -1.493600    
 H   -1.242900      -3.964500      -2.166200    
 H   -1.580800      -3.241200       2.071400    
 H   -5.087700       1.582700      -1.619600    
 H   -1.960600       2.054900       1.322500    
 H  -0.2617000      -6.182500      -1.701800    
 H  -0.5982000      -5.461900       2.520900    
 H   6.3600004E-02  -6.936600      0.6390000    
 H   -6.225800       3.576100     -0.7051000    
 H   -3.097900       4.042100       2.203900    
 H   -5.234600       4.810300       1.205000    
 H    5.910500       2.690200     -0.5605000    
 H    5.443600       1.074800      -1.166500    
 H    7.473500       1.572500       1.109600    
 H    7.254300     -0.5024000      -1.140600    
 H    8.582800     -0.3359000      0.1487000    


%chk=000050518-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050518

0 1
O 5.053934 0.693201 -0.042264
N -0.564876 0.897371 -0.776809
N -2.876589 0.483393 -0.580050
N -1.292314 -1.335887 -0.390075
C -1.556782 -0.061112 -0.552983
C 0.841232 0.809320 -0.595723
C -2.396106 -2.255554 -0.057316
C -1.883682 -3.646784 0.312593
C -3.314909 1.780936 -0.201662
C 1.511318 -0.368053 -0.159547
C 1.606657 1.974766 -0.860395
C 3.664211 0.810351 -0.246149
C 2.905803 -0.355892 0.017283
C 3.007579 1.983670 -0.692346
C -0.601968 -4.090627 -0.091317
C -2.720270 -4.532952 1.036612
C -4.532177 2.276079 -0.747800
C -2.605237 2.579208 0.740248
C -0.165729 -5.398437 0.221512
C -2.287063 -5.840600 1.350275
C -1.005318 -6.278808 0.942486
C -5.027052 3.538672 -0.361735
C -3.102473 3.849522 1.102228
C -4.312105 4.340563 0.558674
C 5.870979 1.902668 -0.263178
C 7.288929 1.560333 0.109470
C 8.365465 1.835655 -0.666072
H -3.024067 -1.865233 0.776070
H -3.085081 -2.380207 -0.929988
H -0.905446 1.802970 -1.105999
H -3.598131 -0.154620 -0.918986
H 0.922616 -1.268023 0.024460
H 1.105666 2.890538 -1.201176
H 3.430671 -1.254746 0.355771
H 3.561485 2.900363 -0.914203
H 0.037810 -3.396678 -0.644490
H -3.713801 -4.198139 1.363747
H -5.083109 1.671483 -1.479228
H -1.692344 2.197223 1.207222
H 0.829614 -5.729866 -0.096646
H -2.943274 -6.512687 1.915257
H -0.665046 -7.291551 1.186934
H -5.968504 3.900580 -0.790022
H -2.546383 4.450064 1.830983
H -4.693688 5.324136 0.851003
H 5.483719 2.719393 0.385714
H 5.802289 2.228988 -1.321104
H 7.413035 1.079482 1.089028
H 8.261600 2.299984 -1.654738
H 9.383210 1.602945 -0.335069


