%chk=000063510.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063510

0 1
 I   -5.456100      -2.502000      0.7999000    
 O   0.8331000      -1.624500      -1.262900    
 O    3.872300      -3.249900       1.367200    
 O    6.121400      -1.861900      0.5062000    
 N   0.4420000      0.7950000     -8.3899997E-02
 N  -0.5742000     -0.1344000     -0.1502000    
 N   -2.772000     -0.7178000      0.4736000    
 C    1.203600      0.8310000       1.144600    
 C   -1.805900      0.1489000      0.4349000    
 C   0.5388000       1.736300      -1.108800    
 C  -0.2466000      -1.342400     -0.7545000    
 C   -1.349700      -2.330000     -0.7339000    
 C    2.512100      0.1102000      0.9750000    
 C   -2.559500      -1.977300     -0.1172000    
 C   -2.026300       1.477000       1.041300    
 C   0.8746000       3.068100     -0.8241000    
 C   0.3028000       1.366600      -2.441100    
 C   -1.179300      -3.591500      -1.313400    
 C    2.587200      -1.248500       1.252300    
 C    3.630200      0.8124000      0.5440000    
 C   -3.598200      -2.914800     -9.2200004E-02
 C   -1.715600       1.684700       2.381800    
 C   -2.543200       2.512100      0.2682000    
 C   -2.225300      -4.512100      -1.279100    
 C   -3.432600      -4.175100     -0.6697000    
 C    3.801400      -1.916800       1.095700    
 C   0.9723000       4.009300      -1.848800    
 C   0.4006000       2.307800      -3.466000    
 C    4.844500      0.1442000      0.3876000    
 C    4.930000      -1.220500      0.6634000    
 C   0.7353000       3.629200      -3.169700    
 C   -1.924200       2.939400       2.954700    
 C   -2.751600       3.766800      0.8409000    
 C   -2.442100       3.980300       2.184200    
 H   0.6646000      0.3292000       1.958400    
 H    1.375600       1.843700       1.524700    
 H    1.046200       3.412900      0.1908000    
 H   4.0300000E-02  0.3531000      -2.724400    
 H  -0.2453000      -3.872500      -1.791500    
 H    1.708700      -1.789900       1.594000    
 H    3.577000       1.875700      0.3289000    
 H   -1.329700      0.8778000       2.998300    
 H   -2.788600       2.355400     -0.7787000    
 H   -2.099100      -5.493300      -1.727300    
 H   -4.231500      -4.912500     -0.6574000    
 H    1.227700       5.039500      -1.618100    
 H   0.2158000       2.012500      -4.494800    
 H    5.720100      0.6925000      5.0900001E-02
 H   0.8099000       4.362400      -3.967500    
 H   -1.686900       3.104600       4.001500    
 H   -3.154500       4.577400      0.2409000    
 H   -2.605000       4.957000       2.630300    
 H    2.996200      -3.562900       1.650600    
 H    5.997900      -2.798100      0.7405000    


%chk=000063510-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063510

0 1
I -5.640275 -2.369866 1.527445
O 0.455051 -1.811486 -1.416939
O 4.861017 -2.134315 -0.575774
O 6.552160 -1.017447 1.213510
N 0.345843 0.644018 -0.202176
N -0.774451 -0.214929 -0.191008
N -2.950282 -0.724675 0.696058
C 1.084230 0.809368 1.069687
C -1.961593 0.141950 0.512859
C 0.640587 1.371477 -1.384265
C -0.610776 -1.514175 -0.808366
C -1.756595 -2.424561 -0.639268
C 2.539680 0.334363 1.061662
C -2.879699 -2.002408 0.148009
C -2.111235 1.493279 1.126930
C 1.753529 2.259462 -1.411062
C -0.179592 1.259757 -2.541692
C -1.706449 -3.719836 -1.213628
C 2.974329 -0.692766 0.189368
C 3.458386 0.907706 1.974676
C -3.945129 -2.935807 0.346523
C -2.758008 1.558701 2.391787
C -1.716094 2.699588 0.488191
C -2.771554 -4.609491 -1.009710
C -3.891732 -4.218185 -0.224248
C 4.306990 -1.127732 0.249343
C 2.028934 3.010594 -2.572715
C 0.112875 2.016202 -3.694664
C 4.796957 0.455866 2.037770
C 5.228640 -0.566810 1.173073
C 1.216361 2.899592 -3.723713
C -2.973276 2.800699 3.022211
C -1.945839 3.941148 1.118803
C -2.563182 3.997980 2.389962
H 0.514282 0.244276 1.830179
H 1.045775 1.874183 1.379783
H 2.414624 2.348734 -0.545444
H -1.037392 0.581119 -2.548329
H -0.826642 -3.994621 -1.803171
H 2.270192 -1.122407 -0.535586
H 3.133505 1.711600 2.646508
H -3.096801 0.627343 2.855798
H -1.265360 2.683175 -0.507470
H -2.750847 -5.611530 -1.449464
H -4.715587 -4.920022 -0.064892
H 2.893439 3.684191 -2.574181
H -0.530013 1.910879 -4.575851
H 5.514955 0.889403 2.740022
H 1.439600 3.483471 -4.622465
H -3.464551 2.835243 4.000512
H -1.647754 4.864376 0.610551
H -2.732538 4.964687 2.877070
H 4.196155 -2.480334 -1.218666
H 6.664349 -1.726726 0.526558


