%chk=000043795.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043795

0 1
 O    3.583000      -2.469100     -0.6374000    
 O    1.348500      -2.715700     -0.3262000    
 O    6.114800       2.482700     -2.7899999E-02
 O    6.545600      0.3889000     -0.5275000    
 N   -2.690300     -0.3561000      0.9294000    
 N   9.9799998E-02  1.0700000E-02  0.4393000    
 N    2.310800      -1.915600     -0.3169000    
 N    4.518900      -1.449400     -0.5785000    
 N    5.733600       1.296800     -0.2094000    
 C   -1.696800      -1.143100       1.670400    
 C   -2.203200     -8.9100003E-02 -0.4293000    
 C  -0.3668000     -0.3927000       1.771800    
 C  -0.8893000      0.6956000     -0.3986000    
 C   -3.972200      -1.058700      0.8861000    
 C    1.461000      0.2913000      0.2763000    
 C    2.466800     -0.6170000     -7.4100003E-02
 C   -5.027300     -0.2570000      0.1712000    
 C    1.997700       1.590200      0.4574000    
 C    3.871500     -0.3248000     -0.2413000    
 C    3.377500       1.918400      0.3015000    
 C    4.367300      0.9783000     -5.2499998E-02
 C   -5.823200      0.6219000      0.8925000    
 C   -5.188800     -0.4079000      -1.199000    
 C   -6.800600       1.364800      0.2304000    
 C   -6.166200      0.3352000      -1.861100    
 C   -6.972100       1.221500      -1.146400    
 H   -1.532800      -2.115500       1.186500    
 H   -2.056000      -1.340900       2.687600    
 H   -2.885200      0.5496000     -0.9958000    
 H   -2.060700      -1.023300     -0.9889000    
 H  -0.4795000      0.4975000       2.403800    
 H   0.3692000      -1.047800       2.254100    
 H  -0.5132000      0.7933000      -1.424600    
 H   -1.062700       1.707800     -1.1200000E-02
 H   -4.321500      -1.259200       1.908000    
 H   -3.874300      -2.044000      0.4088000    
 H    1.323500       2.400500      0.7384000    
 H    3.655300       2.958700      0.4721000    
 H   -5.696800      0.7430000       1.964700    
 H   -4.580200      -1.105800      -1.767300    
 H   -7.427800       2.055300      0.7867000    
 H   -6.302200      0.2210000      -2.932600    
 H   -7.733600       1.799400      -1.661800    


%chk=000043795-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043795

0 1
O 3.891077 -2.515439 0.762558
O 1.432325 -2.804685 0.682672
O 6.037114 2.640983 -0.333629
O 6.659909 0.542060 0.344907
N -2.636775 -0.608755 0.493826
N 0.159372 0.088515 0.383209
N 2.390013 -1.975115 0.637394
N 4.750670 -1.427508 0.587506
N 5.764442 1.421191 0.026142
C -1.620414 -1.499851 1.100854
C -2.075450 0.094067 -0.680542
C -0.402431 -0.672026 1.535728
C -0.855095 0.945235 -0.278945
C -3.915754 -1.301715 0.196972
C 1.510754 0.374412 0.257536
C 2.542523 -0.627620 0.477097
C -5.057600 -0.334194 -0.099601
C 1.987779 1.650288 -0.139960
C 3.966601 -0.322267 0.408455
C 3.367883 1.957129 -0.217657
C 4.366228 1.019621 0.076048
C -5.245380 0.821585 0.700922
C -5.971427 -0.595934 -1.149431
C -6.327406 1.695342 0.457439
C -7.059276 0.274904 -1.392908
C -7.240583 1.423703 -0.589651
H -1.278593 -2.301008 0.401751
H -2.056822 -1.985958 1.992559
H -2.848227 0.761239 -1.101335
H -1.765946 -0.624146 -1.481444
H -0.724345 0.066325 2.300644
H 0.358848 -1.326072 1.980502
H -0.416929 1.392735 -1.186331
H -1.181908 1.758151 0.403700
H -4.167888 -1.903156 1.093498
H -3.813193 -2.023666 -0.651659
H 1.270065 2.454597 -0.316158
H 3.691686 2.969843 -0.475795
H -4.528278 1.025850 1.503957
H -5.832820 -1.483695 -1.779584
H -6.462732 2.584776 1.083523
H -7.758908 0.059537 -2.208355
H -8.081611 2.100423 -0.777716


