%chk=000056574.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056574

0 1
 O   0.2349000       1.683800     -0.6392000    
 O   8.3999999E-02  -3.367300     -0.5126000    
 O    2.500500     -0.1221000      -1.503900    
 N   0.5716000      -1.158200      3.0099999E-02
 N    3.455300       1.206000      0.1412000    
 C   -2.914900      0.1378000     -0.3806000    
 C   -2.026500       1.260400      0.2280000    
 C   -1.946500     -0.9831000      0.1066000    
 C  -0.6011000     -0.6086000     -0.5720000    
 C   -1.866800      0.8424000       1.708000    
 C   -1.853900     -0.7002000       1.630800    
 C  -0.6659000      0.8990000     -0.3853000    
 C   -3.088700      0.2184000      -1.911800    
 C   -4.335100      3.8400002E-02  0.2120000    
 C   -2.452500       2.692300      9.9999998E-03
 C    1.490100     -0.1992000      0.6684000    
 C   0.8358000      -2.543100      1.4600000E-02
 C    2.516300      0.2867000     -0.3399000    
 C    2.102400      -3.022100      0.6788000    
 C    4.507400       1.764800     -0.7045000    
 C    3.453400       1.674100       1.521500    
 H   -2.274100      -2.002200     -0.1142000    
 H  -0.6085000     -0.8639000      -1.636000    
 H   -2.703600       1.188500       2.324600    
 H  -0.9484000       1.228700       2.161900    
 H  -0.9623000      -1.124300       2.101300    
 H   -2.715400      -1.119500       2.161800    
 H   -2.168600      0.4517000      -2.454200    
 H   -3.805700       1.002900      -2.180700    
 H   -3.471200     -0.7310000      -2.302800    
 H   -4.372100      3.9099999E-02   1.303300    
 H   -4.823000     -0.8833000     -0.1251000    
 H   -4.952700      0.8818000     -0.1178000    
 H   -2.478500       2.943000      -1.055600    
 H   -3.445500       2.881600      0.4292000    
 H   -1.750200       3.385300      0.4863000    
 H    2.048400     -0.7367000       1.440300    
 H   0.9806000      0.5909000       1.218100    
 H    2.236800      -4.088200      0.4690000    
 H    2.975200      -2.495200      0.2866000    
 H    2.028900      -2.897300       1.762200    
 H    5.480100       1.474600     -0.2973000    
 H    4.416200       2.854600     -0.7078000    
 H    4.424200       1.394400      -1.729300    
 H    2.838900       1.086100       2.201000    
 H    3.094800       2.707900       1.527900    
 H    4.479900       1.652000       1.901700    


%chk=000056574-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056574

0 1
O 0.330276 1.809751 -0.411835
O -0.053245 -3.106437 -0.950824
O 3.022077 -0.613803 -1.172072
N 0.637901 -1.226190 0.216843
N 3.505150 1.163828 0.256266
C -2.877611 0.152516 -0.344982
C -2.031252 1.350184 0.252146
C -1.931374 -0.954722 0.252167
C -0.547658 -0.545524 -0.352239
C -1.957501 0.950400 1.783324
C -1.896241 -0.617095 1.769161
C -0.609212 0.995500 -0.220756
C -2.958585 0.171903 -1.894619
C -4.325946 0.075487 0.191302
C -2.461522 2.787117 -0.022664
C 1.701837 -0.469344 0.889514
C 0.811435 -2.554639 -0.200253
C 2.784681 0.039166 -0.107662
C 2.033307 -3.310578 0.305112
C 4.503256 1.699602 -0.689102
C 3.153958 2.020643 1.404430
H -2.196351 -1.992892 0.005502
H -0.567093 -0.800559 -1.431492
H -2.863816 1.329172 2.289236
H -1.090798 1.417550 2.286271
H -0.977574 -1.011991 2.237666
H -2.751615 -1.063356 2.303925
H -2.008047 0.438946 -2.388352
H -3.713405 0.908114 -2.227394
H -3.266838 -0.818941 -2.275858
H -4.390854 0.018813 1.290499
H -4.827056 -0.822020 -0.217580
H -4.907560 0.957387 -0.136285
H -2.557255 2.976653 -1.107045
H -3.433118 3.008438 0.455335
H -1.712574 3.499633 0.367422
H 2.204634 -1.125827 1.624280
H 1.253386 0.361432 1.451725
H 1.956290 -4.345895 -0.057687
H 2.955323 -2.855681 -0.094837
H 2.088270 -3.325176 1.409956
H 5.471912 1.857073 -0.179638
H 4.159207 2.661656 -1.115773
H 4.627645 0.972697 -1.505602
H 3.006823 1.429878 2.325140
H 2.241872 2.613275 1.197729
H 3.988861 2.715558 1.594197


