%chk=000112565.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112565

1 1
 O   -1.970900      -1.203100      3.5100002E-02
 N    4.475600     -0.2737000     -0.1956000    
 N   -2.489900      0.9996000     -0.1680000    
 C    3.310400     -0.9923000     -0.1324000    
 C    2.322800     -8.3400004E-02 -0.1386000    
 C    4.187200       1.065400     -0.2407000    
 C    5.807700     -0.8411000     -0.2130000    
 C    2.817300       1.203600     -0.2046000    
 C   -1.543000      9.1799997E-02 -8.6700000E-02
 C   -3.669200      0.2904000     -9.8300003E-02
 C   0.8936000     -0.4385000     -8.1699997E-02
 C   -2.348400       2.420300     -0.2973000    
 C   -3.348600      -1.063100      2.6500000E-02
 C  -0.1722000      0.4342000     -0.1226000    
 C    3.310500      -2.471100     -7.3399998E-02
 C    5.241400       2.098300     -0.3138000    
 C    6.378800      -1.010100       1.184300    
 C   -4.995500      0.7145000     -0.1333000    
 C   -4.302500      -2.067500      0.1230000    
 C   -2.292000       3.049200       1.080600    
 C   -5.976400     -0.2833000     -3.7400000E-02
 C   -5.636700      -1.640200      8.7700002E-02
 H    5.771600      -1.804500     -0.7320000    
 H    6.455800     -0.1962000     -0.8151000    
 H    2.289300       2.146900     -0.2258000    
 H   0.6563000      -1.498100     -2.0400001E-02
 H   -1.472500       2.687600     -0.8953000    
 H   -3.208600       2.820200     -0.8466000    
 H   7.8900002E-02   1.487900     -0.1799000    
 H    3.602400      -2.892100      -1.041300    
 H    4.002100      -2.843100      0.6886000    
 H    2.327900      -2.879700      0.1772000    
 H    4.805000       3.101700     -0.2619000    
 H    5.949100       2.008500      0.5158000    
 H    5.792300       2.030100      -1.257300    
 H    6.452700     -5.0099999E-02   1.705100    
 H    7.382100      -1.444300       1.131700    
 H    5.756100      -1.669700       1.796700    
 H   -5.276500       1.757200     -0.2266000    
 H   -4.036500      -3.112600      0.2194000    
 H   -3.194100       2.820500       1.657300    
 H   -2.207900       4.137100      0.9984000    
 H   -1.431800       2.683600       1.650300    
 H   -7.026000      7.9999998E-04 -5.9599999E-02
 H   -6.431100      -2.379900      0.1592000    


%chk=000112565-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112565

1 1
O -1.876058 -1.031170 -0.051198
N 4.550374 -0.351051 -0.229041
N -2.589205 1.113621 -0.182893
C 3.339945 -1.007943 -0.167293
C 2.307681 -0.006313 -0.201224
C 4.343375 1.063948 -0.299846
C 5.882829 -0.995658 -0.152677
C 2.976258 1.284090 -0.283810
C -1.473388 0.305591 -0.145537
C -3.753540 0.303688 -0.089508
C 0.916702 -0.287334 -0.161745
C -2.585878 2.595242 -0.234982
C -3.303312 -1.034535 -0.015781
C -0.110781 0.664291 -0.191296
C 3.229588 -2.502530 -0.103574
C 5.483517 2.032504 -0.404270
C 6.398725 -1.124831 1.296751
C -5.127052 0.604854 -0.072951
C -4.155279 -2.135008 0.074403
C -2.555559 3.235292 1.167051
C -6.012579 -0.495719 0.018247
C -5.540834 -1.834230 0.090081
H 5.813108 -1.989210 -0.627249
H 6.583981 -0.396603 -0.757800
H 2.504397 2.263374 -0.333990
H 0.613856 -1.341218 -0.101235
H -1.719213 2.915145 -0.838480
H -3.489785 2.901849 -0.788875
H 0.123663 1.730735 -0.248054
H 3.617671 -2.981657 -1.023056
H 3.791016 -2.925245 0.749839
H 2.179542 -2.814027 0.006886
H 5.092873 3.062397 -0.405461
H 6.192504 1.946565 0.440170
H 6.060782 1.897748 -1.338991
H 6.485998 -0.137779 1.782259
H 7.397457 -1.595141 1.295536
H 5.727367 -1.749666 1.911091
H -5.504938 1.629614 -0.124953
H -3.780062 -3.159396 0.128764
H -3.429170 2.929931 1.767994
H -2.575842 4.334559 1.070443
H -1.641519 2.956490 1.719443
H -7.090609 -0.309845 0.034782
H -6.262006 -2.653723 0.159734


