%chk=000060615.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060615

0 1
 O    4.961300     -0.3346000      -1.889500    
 N   -2.028000      4.0800001E-02 -0.1242000    
 N   0.8174000      0.1108000     -0.6322000    
 C   -1.383900       1.232100     -0.6909000    
 C   -1.292300      -1.170300     -0.5078000    
 C   8.1000000E-02   1.321800     -0.2494000    
 C   0.1729000      -1.081300     -6.7500003E-02
 C   -3.424500     -4.4500001E-02 -0.5463000    
 C    2.213400      0.1963000     -0.2081000    
 C    2.897500       1.389900     -0.8775000    
 C   -4.077800      -1.353100     -0.1267000    
 C   -4.239000       1.162300     -0.1042000    
 C    4.366800       1.522400     -0.4674000    
 C   -4.018200      -2.433500     -0.9834000    
 C   -5.308400       1.565400     -0.8780000    
 C   -4.709800      -1.421000       1.098400    
 C   -3.884300       1.817700       1.057400    
 C    5.222900      0.3389000     -0.8958000    
 C   -4.616700      -3.633300     -0.5988000    
 C   -6.055200       2.671700     -0.4729000    
 C   -5.308300      -2.620900       1.483000    
 C   -4.631200       2.924000       1.462600    
 C   -5.261600      -3.727000      0.6343000    
 C   -5.716700       3.350800      0.6974000    
 C    6.431400      3.0000000E-03 -8.9900002E-02
 C    7.092200       1.018300      0.5647000    
 C    6.841600      -1.310000     -2.9700000E-02
 C    8.222700      0.7042000       1.318900    
 C    7.972100      -1.624000      0.7247000    
 C    8.662600     -0.6169000       1.398900    
 H   -1.855600       2.171000     -0.3887000    
 H   -1.424900       1.204500      -1.789400    
 H   -1.334000      -1.340300      -1.592000    
 H   -1.675500      -2.059000      2.9000000E-03
 H   0.1341000       1.494300      0.8340000    
 H   0.4728000       2.211100     -0.7506000    
 H   0.6925000      -1.983000     -0.4142000    
 H   0.2293000      -1.073100       1.029700    
 H   -3.439800     -2.4200000E-02  -1.648500    
 H    2.730000     -0.7267000     -0.4950000    
 H    2.291700      0.2847000      0.8834000    
 H    2.435800       2.339300     -0.5917000    
 H    2.822900       1.302300      -1.968600    
 H    4.790300       2.422200     -0.9281000    
 H    4.412900       1.636600      0.6217000    
 H   -3.532600      -2.372200      -1.952500    
 H   -5.580500       1.042000      -1.789700    
 H   -4.749400     -0.5960000       1.799300    
 H   -3.064500       1.496300       1.692500    
 H   -4.582900      -4.493700      -1.260700    
 H   -6.900900       3.003600      -1.068100    
 H   -5.805900      -2.696200       2.445400    
 H   -4.372100       3.449000       2.377300    
 H   -5.727000      -4.661400      0.9341000    
 H   -6.299300       4.211100       1.013900    
 H    6.780700       2.056000      0.5050000    
 H    6.310400      -2.104300     -0.5450000    
 H    8.762900       1.488600       1.840900    
 H    8.314100      -2.652900      0.7882000    
 H    9.543300     -0.8614000       1.985600    


%chk=000060615-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060615

0 1
O 4.900446 -1.117113 -1.007570
N -2.146409 0.004700 -0.208898
N 0.765576 0.078008 -0.427927
C -1.427641 1.210819 -0.705886
C -1.357524 -1.206344 -0.568571
C -0.020142 1.288988 -0.094771
C 0.049192 -1.131230 0.045080
C -3.553990 -0.056851 -0.706502
C 2.168804 0.134431 0.043880
C 3.056323 1.037873 -0.841123
C -4.272072 -1.325330 -0.214418
C -4.358257 1.182112 -0.273620
C 4.492213 1.184729 -0.298889
C -5.054366 -2.090504 -1.111815
C -5.301906 1.753289 -1.160512
C -4.205708 -1.723476 1.145233
C -4.217817 1.735430 1.024387
C 5.350311 -0.079782 -0.436427
C -5.765503 -3.227821 -0.663703
C -6.099015 2.850347 -0.760979
C -4.908489 -2.861267 1.594941
C -5.007616 2.834401 1.425068
C -5.695645 -3.616923 0.692965
C -5.955337 3.394660 0.535582
C 6.755099 -0.061726 0.106500
C 7.317903 1.080116 0.739065
C 7.545697 -1.235933 -0.027991
C 8.642540 1.046580 1.225379
C 8.867113 -1.269619 0.458132
C 9.419881 -0.126967 1.086581
H -1.998171 2.113134 -0.428881
H -1.334251 1.188223 -1.820682
H -1.260319 -1.305494 -1.678738
H -1.874596 -2.102928 -0.188329
H -0.116216 1.418646 1.015205
H 0.492580 2.181502 -0.496712
H 0.626207 -2.024119 -0.258658
H -0.048885 -1.144458 1.161389
H -3.568536 -0.085409 -1.828323
H 2.580587 -0.889559 0.009464
H 2.229679 0.481798 1.110567
H 2.608297 2.046888 -0.920095
H 3.079417 0.605460 -1.857099
H 5.018886 2.003961 -0.831205
H 4.471451 1.488062 0.768815
H -5.106327 -1.797230 -2.168038
H -5.416356 1.335658 -2.168929
H -3.586594 -1.143411 1.838155
H -3.471953 1.306230 1.702618
H -6.366927 -3.809723 -1.371443
H -6.825893 3.280540 -1.459462
H -4.845637 -3.159390 2.647923
H -4.886316 3.254497 2.430344
H -6.244052 -4.498741 1.043196
H -6.570543 4.246140 0.847964
H 6.729342 1.996294 0.853104
H 7.094964 -2.104640 -0.519591
H 9.069222 1.931101 1.710903
H 9.467884 -2.179226 0.349805
H 10.448095 -0.151206 1.464742


