%chk=000148955.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148955

0 1
 O   -9.085900      -2.188800      0.5897000    
 N   -6.891200     -0.5735000      0.1811000    
 N   -8.161600     -0.1180000      8.6800002E-02
 C    6.317500      0.4072000      0.6749000    
 C    7.357100     -0.6707000       1.087800    
 C    7.625500      -1.666700     -2.6000001E-02
 C    5.109000     -0.2196000     -5.9799999E-02
 C    6.340700      -2.391200     -0.3981000    
 C    5.123300      -1.496800     -0.5175000    
 C    7.004100       1.440300     -0.2477000    
 C    5.898200       1.118800       1.984500    
 C    3.965700      0.6577000     -0.2514000    
 C    3.972700      -2.204300      -1.195700    
 C    2.694500      0.2424000     -0.1361000    
 C    1.486700       1.056600     -0.3121000    
 C    1.682100       2.511800     -0.6581000    
 C   0.2853000      0.4596000     -0.1549000    
 C   -1.029100       1.061700     -0.2800000    
 C   -2.164100      0.3638000     -9.9799998E-02
 C   -3.536700      0.8735000     -0.2028000    
 C   -3.705000       2.331900     -0.5448000    
 C   -4.546600      8.2000000E-03  1.5400000E-02
 C   -5.992000      0.3298000     -4.3699998E-02
 C   -9.201900     -0.9985000      0.3079000    
 C   -10.54850     -0.3353000      0.2003000    
 H    6.996500      -1.222500       1.967400    
 H    8.300600     -0.1988000       1.390000    
 H    8.377900      -2.395900      0.2959000    
 H    8.039500      -1.158000     -0.9042000    
 H    6.126200      -3.160200      0.3551000    
 H    6.519500      -2.914900      -1.345200    
 H    7.254700       1.011200      -1.224000    
 H    6.369000       2.314600     -0.4281000    
 H    7.933200       1.811800      0.2002000    
 H    5.349900      0.4390000       2.647200    
 H    5.256200       1.985900       1.792800    
 H    6.775200       1.484400       2.531700    
 H    4.189500       1.682400     -0.5285000    
 H    3.357800      -2.735300     -0.4625000    
 H    3.355600      -1.544500      -1.810500    
 H    4.348500      -2.956400      -1.900100    
 H    2.491800     -0.7698000      0.2043000    
 H   0.7496000       3.068900     -0.7681000    
 H    2.256700       3.018600      0.1255000    
 H    2.219000       2.611200      -1.608200    
 H   0.2644000     -0.6022000      9.4700001E-02
 H   -1.077800       2.114500     -0.5292000    
 H   -2.078000     -0.6941000      0.1497000    
 H   -3.252700       2.551600      -1.518600    
 H   -4.744300       2.657800     -0.6061000    
 H   -3.226900       2.961100      0.2145000    
 H   -4.335500      -1.031600      0.2589000    
 H   -6.267000       1.367200     -0.2879000    
 H   -8.308600      0.8618000     -0.1359000    
 H   -11.30830      -1.087200     -3.0400001E-02
 H   -10.79040      0.1456000       1.151900    
 H   -10.55110      0.4147000     -0.5958000    


%chk=000148955-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148955

0 1
O -9.230555 -2.145906 0.625797
N -7.005228 -0.454167 0.189390
N -8.322175 -0.034533 0.127059
C 6.353019 0.428338 0.662551
C 7.460346 -0.565030 1.121604
C 7.845334 -1.575287 0.028587
C 5.191540 -0.321405 -0.056899
C 6.614830 -2.421439 -0.347736
C 5.334148 -1.612200 -0.535200
C 6.968694 1.489869 -0.299366
C 5.825302 1.150670 1.936767
C 3.970639 0.487119 -0.231821
C 4.258303 -2.355728 -1.310929
C 2.655477 0.074685 -0.154740
C 1.485960 0.930675 -0.319475
C 1.694118 2.399667 -0.644237
C 0.223100 0.358361 -0.168836
C -1.057631 1.005538 -0.284270
C -2.263303 0.340783 -0.105916
C -3.586509 0.928712 -0.204905
C -3.703355 2.408887 -0.532393
C -4.689096 0.103670 0.007102
C -6.079076 0.473531 -0.042655
C -9.388295 -0.929213 0.355399
C -10.764365 -0.272302 0.241871
H 7.096993 -1.121613 2.010075
H 8.344616 0.017473 1.448691
H 8.666417 -2.230662 0.377000
H 8.219883 -1.043168 -0.867075
H 6.434837 -3.187890 0.439147
H 6.814810 -2.995529 -1.274908
H 7.426903 1.013853 -1.184270
H 6.206715 2.203335 -0.662826
H 7.748885 2.074254 0.225029
H 5.306680 0.440235 2.606305
H 5.116815 1.962537 1.694818
H 6.671690 1.595781 2.494591
H 4.143741 1.563004 -0.381893
H 3.689999 -3.051324 -0.659531
H 3.530335 -1.675007 -1.781845
H 4.719989 -2.976235 -2.102610
H 2.444297 -0.975057 0.089555
H 0.745648 2.947841 -0.749685
H 2.281502 2.898386 0.150729
H 2.259598 2.519551 -1.587829
H 0.192805 -0.716808 0.069552
H -1.078861 2.075841 -0.525022
H -2.226753 -0.732650 0.135151
H -3.240285 2.631595 -1.512352
H -4.747176 2.757348 -0.570959
H -3.175455 3.019517 0.224221
H -4.511353 -0.954682 0.240468
H -6.354465 1.522615 -0.273083
H -8.548658 0.949401 -0.089628
H -11.346282 -0.795316 -0.536444
H -11.302071 -0.403495 1.196666
H -10.732521 0.804375 -0.002384


