%chk=000041956.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041956

0 1
 O    1.915500      0.8241000     -0.5906000    
 O   -2.972700      -2.059200      -1.280900    
 O   -4.664100       2.134700       1.566400    
 N  -0.7007000     -0.9287000      -1.819800    
 C    6.594500     -0.3151000      0.4096000    
 C    5.638700      0.3137000     -0.6068000    
 C    8.059600     -0.2898000     -3.5500001E-02
 C    4.196600      0.2827000     -0.1027000    
 C    9.023800     -0.8511000       1.011800    
 C    3.231700      0.8684000      -1.123900    
 C    10.47590     -0.7349000      0.5453000    
 C   -2.479200      0.1112000     -0.4618000    
 C  -0.4030000       1.269500     -0.8909000    
 C   -2.930400       1.201200      0.2853000    
 C   -1.210200      0.1463000      -1.051800    
 C   0.9624000       1.342600      -1.508800    
 C   -4.669200      -1.106000     -8.2000000E-03
 C   -3.332000      -1.082400     -0.6355000    
 C   -5.120400     -1.5699999E-02  0.7386000    
 C   -4.267600       1.177800      0.9126000    
 C  -0.8483000       2.357300     -0.1470000    
 C   -2.112300       2.326300      0.4428000    
 C    11.44210      -1.256000       1.597200    
 C   -5.487200      -2.231200     -0.1654000    
 C   -6.390000     -5.0500002E-02   1.328000    
 C   -6.751600      -2.261700      0.4235000    
 C   -7.202100      -1.173600       1.168400    
 H    6.295700      -1.353900      0.5972000    
 H    6.502900      0.2177000       1.364400    
 H    5.710900     -0.2283000      -1.557400    
 H    5.938800       1.350400     -0.8012000    
 H    8.341700      0.7456000     -0.2646000    
 H    8.162600     -0.8590000     -0.9676000    
 H    4.111900      0.8385000      0.8395000    
 H    3.896400     -0.7471000      0.1286000    
 H    8.779400      -1.901400       1.210600    
 H    8.896900     -0.3051000       1.954400    
 H    3.271700      0.2873000      -2.052800    
 H    3.502600       1.907600      -1.344600    
 H    10.71520      0.3124000      0.3275000    
 H    10.61430      -1.299700     -0.3839000    
 H    1.017200      0.8303000      -2.475600    
 H    1.207300       2.392500      -1.719500    
 H  -0.2239000       3.236800     -1.3300000E-02
 H   -2.439900       3.186800       1.019900    
 H    11.25010      -2.310900       1.817800    
 H    11.35180     -0.6880000       2.528700    
 H    12.47360      -1.165200       1.242600    
 H   -5.161800      -3.093700     -0.7409000    
 H   -6.764200      0.7848000       1.913600    
 H   0.2743000     -0.9753000      -2.077500    
 H   -1.264900      -1.753900      -1.967400    
 H   -7.385900      -3.134900      0.3010000    
 H   -8.186900      -1.199900       1.625800    


%chk=000041956-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041956

0 1
O 1.878575 1.026361 -0.539696
O -2.358095 -2.234979 -0.324468
O -5.393468 2.317571 0.473815
N -0.233224 -0.756454 -0.806651
C 6.600931 -0.383068 0.337040
C 5.667624 0.476783 -0.544889
C 8.090862 -0.262976 -0.054748
C 4.179914 0.346552 -0.143105
C 9.025649 -1.113491 0.834592
C 3.264368 1.213374 -1.010743
C 10.515988 -1.000096 0.439864
C -2.443023 0.185812 -0.283850
C -0.490355 1.661302 -0.777880
C -3.238800 1.362589 -0.072559
C -1.042462 0.334025 -0.620582
C 0.914925 1.851088 -1.304404
C -4.482696 -1.252680 0.223254
C -3.037126 -1.149996 -0.143638
C -5.280385 -0.090883 0.429558
C -4.689157 1.271645 0.289464
C -1.304563 2.778667 -0.541844
C -2.669204 2.643426 -0.188922
C 11.443061 -1.847758 1.337661
C -5.068453 -2.535582 0.362600
C -6.649111 -0.225438 0.771934
C -6.429557 -2.662156 0.704068
C -7.223249 -1.504020 0.909435
H 6.289417 -1.446410 0.272474
H 6.475790 -0.086524 1.399204
H 5.795160 0.181408 -1.607408
H 5.979693 1.539930 -0.475876
H 8.400909 0.801660 0.002300
H 8.217551 -0.567132 -1.115079
H 4.046766 0.639571 0.915885
H 3.860499 -0.710959 -0.225763
H 8.714666 -2.178045 0.782819
H 8.904319 -0.806303 1.894599
H 3.338109 0.924599 -2.083804
H 3.538491 2.287860 -0.922187
H 10.825460 0.064140 0.487409
H 10.636791 -1.311619 -0.617947
H 0.968069 1.545196 -2.375946
H 1.205571 2.919449 -1.236557
H -0.873131 3.781015 -0.650971
H -3.305013 3.514787 -0.010071
H 11.172446 -2.919461 1.287195
H 11.365773 -1.533028 2.395646
H 12.501612 -1.752048 1.033316
H -4.433505 -3.411258 0.197449
H -7.234085 0.687210 0.923791
H 0.779751 -0.595586 -0.812435
H -0.675120 -1.681969 -0.694670
H -6.876306 -3.656557 0.811568
H -8.281049 -1.605244 1.174953


