%chk=000037001.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037001

0 1
 O   0.8915000      0.3611000      -2.843700    
 N   -2.824800     -0.5244000     -0.3436000    
 N    1.863000      0.7317000     -0.7269000    
 C  -9.6799999E-02   1.964700      -1.257300    
 C   -1.490200       1.338800      -1.201900    
 C   -1.486200      6.4800002E-02 -0.3658000    
 C   0.4262000       2.291300      0.1198000    
 C   0.9247000      0.9127000      -1.752600    
 C    1.574700       1.541700      0.3790000    
 C   -3.785200      0.4042000      0.2690000    
 C   -2.807400      -1.813200      0.3627000    
 C  -6.6000000E-02   3.182900      -2.180000    
 C   -5.200100     -0.1768000      0.2555000    
 C   -4.190200      -2.466500      0.3525000    
 C   -5.246900      -1.538000      0.9401000    
 C  -6.8000004E-02   3.175200       1.065300    
 C    2.992400     -0.1661000     -0.7782000    
 C    2.260900       1.647400       1.577000    
 C   0.6118000       3.294700       2.280100    
 C    1.766800       2.536700       2.533600    
 C    2.644300      -1.535600     -0.2583000    
 C    2.808300      -1.816400       1.091000    
 C    2.164800      -2.498100      -1.135600    
 C    2.486300      -3.085400       1.572600    
 C    1.842600      -3.766900     -0.6541000    
 C    2.003400      -4.060500      0.7001000    
 H   -1.836600       1.106300      -2.217900    
 H   -2.161500       2.102500     -0.7989000    
 H   -1.148300      0.2526000      0.6601000    
 H  -0.8027000     -0.6689000     -0.8074000    
 H   -3.869500       1.341600     -0.2855000    
 H   -3.494800      0.6502000       1.298800    
 H   -2.468500      -1.686400       1.399500    
 H   -2.104600      -2.497700     -0.1279000    
 H  -0.3744000       2.915600      -3.197200    
 H  -0.7339000       3.974900      -1.823100    
 H   0.9429000       3.607000      -2.249700    
 H   -5.547500     -0.2773000     -0.7809000    
 H   -5.889000      0.5119000      0.7580000    
 H   -4.161800      -3.401700      0.9229000    
 H   -4.465300      -2.728000     -0.6772000    
 H   -5.067800      -1.413400       2.015000    
 H   -6.242200      -1.981800      0.8282000    
 H  -0.9595000       3.763000      0.8752000    
 H    3.850700      0.2586000     -0.2449000    
 H    3.309800     -0.2520000      -1.825600    
 H    3.170100       1.099400       1.784900    
 H   0.2450000       3.982400       3.037400    
 H    2.284600       2.650400       3.482300    
 H    3.204300      -1.084700       1.784700    
 H    2.035000      -2.281600      -2.192100    
 H    2.616500      -3.315900       2.626000    
 H    1.466400      -4.526300      -1.333500    
 H    1.753600      -5.048800       1.074700    


%chk=000037001-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037001

0 1
O 0.947536 0.324043 -2.943762
N -3.171535 -0.382674 -0.545337
N 1.840807 0.633966 -0.774227
C -0.110690 1.926787 -1.305310
C -1.560304 1.352867 -1.369486
C -1.740561 -0.006835 -0.660008
C 0.377599 2.197235 0.115027
C 0.915829 0.874414 -1.809654
C 1.535012 1.414280 0.374929
C -3.846451 0.288149 0.595383
C -3.382364 -1.852671 -0.503935
C -0.011035 3.187224 -2.210517
C -5.364401 0.015389 0.584850
C -4.885109 -2.196194 -0.553426
C -5.644227 -1.504715 0.601997
C -0.114685 3.060777 1.104078
C 2.989138 -0.267257 -0.922715
C 2.214802 1.468335 1.605470
C 0.555936 3.133945 2.354469
C 1.705369 2.345489 2.596562
C 2.951954 -1.493065 -0.011446
C 4.142897 -1.962466 0.594057
C 1.745532 -2.204440 0.202446
C 4.133491 -3.129053 1.392676
C 1.732391 -3.367012 1.002846
C 2.926785 -3.835381 1.599559
H -1.849456 1.238377 -2.429975
H -2.238842 2.106594 -0.925526
H -1.239395 0.015053 0.341196
H -1.232474 -0.782886 -1.264082
H -3.659069 1.375856 0.533363
H -3.416644 -0.062991 1.572525
H -2.936807 -2.302713 0.424836
H -2.862903 -2.301945 -1.370878
H -0.200123 2.906876 -3.261739
H -0.761439 3.937417 -1.901686
H 0.988516 3.651887 -2.144533
H -5.800617 0.462617 -0.329181
H -5.832899 0.508670 1.458547
H -5.013466 -3.294860 -0.504479
H -5.293820 -1.851832 -1.523084
H -5.305355 -1.929088 1.570264
H -6.730487 -1.701189 0.525660
H -1.003951 3.674419 0.918643
H 3.926764 0.298188 -0.755185
H 2.971413 -0.582958 -1.984540
H 3.092656 0.846326 1.804348
H 0.181664 3.803249 3.136490
H 2.211044 2.408213 3.566652
H 5.082852 -1.417360 0.437888
H 0.818382 -1.845349 -0.258431
H 5.062587 -3.482541 1.853900
H 0.792982 -3.908901 1.160627
H 2.916068 -4.738367 2.220050


