%chk=000039644.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039644

0 1
 O   0.8966000       1.244900      -2.176400    
 N    1.535100     -0.1950000     -0.4490000    
 N   0.6362000      -3.449100       1.126900    
 C    2.971000     -1.8300001E-02 -0.6146000    
 C    1.128500      -1.105900      0.6188000    
 C    3.516800       1.129900      0.2279000    
 C    1.014600      -2.521500      6.8099998E-02
 C   0.6017000      0.4669000      -1.262800    
 C    5.021000       1.336700      3.5900000E-02
 C  -0.8207000      0.2220000      -1.041900    
 C   -1.589200      0.9947000     -0.1562000    
 C   -2.963500      0.6986000      6.8000001E-03
 C    5.525300       2.524300      0.8409000    
 C   -1.398500     -0.8278000      -1.756500    
 C  -0.6451000      -3.060800       1.719500    
 C   0.5627000      -4.817700      0.6119000    
 C   -1.024200       2.054900      0.5713000    
 C   -3.528700     -0.3614000     -0.7209000    
 C   -2.750000      -1.118800      -1.596500    
 C   -3.732300       1.471100      0.8924000    
 C   -1.802900       2.811900       1.447000    
 C   -3.154400       2.520600       1.607400    
 H    3.166100      0.1946000      -1.672400    
 H    3.484200     -0.9567000     -0.3766000    
 H    1.871100      -1.058300       1.424900    
 H   0.1915000     -0.7434000       1.041500    
 H    3.307400      0.9427000       1.288300    
 H    2.985100       2.054300     -3.1900000E-02
 H    1.989900      -2.820600     -0.3371000    
 H   0.3121000      -2.577700     -0.7673000    
 H    5.240600       1.503200      -1.025100    
 H    5.561300      0.4338000      0.3425000    
 H    5.026100       3.448300      0.5319000    
 H    6.601800       2.653600      0.6915000    
 H    5.345700       2.377500       1.910600    
 H  -0.8106000      -1.417400      -2.455600    
 H   -1.003200      -3.845000       2.398100    
 H   -1.423900      -2.896400      0.9662000    
 H  -0.5535000      -2.170400       2.348800    
 H    1.527300      -5.123100      0.1910000    
 H  -0.2033000      -4.927000     -0.1645000    
 H   0.3384000      -5.522500       1.420500    
 H   2.7000001E-02   2.316300      0.4756000    
 H   -4.583200     -0.6065000     -0.6118000    
 H   -3.200100      -1.933900      -2.155600    
 H   -4.790500       1.261300       1.033300    
 H   -1.353800       3.629100       2.003900    
 H   -3.760000       3.110400       2.289300    


%chk=000039644-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039644

0 1
O 1.028276 1.204840 -2.256483
N 1.444764 -0.226919 -0.467582
N 0.682292 -3.553850 1.240494
C 2.905687 -0.035612 -0.639231
C 0.991216 -1.147445 0.596600
C 3.446255 1.168488 0.166200
C 0.993370 -2.625534 0.131405
C 0.589652 0.452179 -1.325536
C 4.976127 1.327669 0.017444
C -0.902645 0.269129 -1.119855
C -1.616553 1.083224 -0.165620
C -3.055301 0.936690 -0.055090
C 5.526475 2.536895 0.803691
C -1.603130 -0.626462 -1.936113
C -0.738359 -3.511889 1.650148
C 1.127311 -4.935326 0.960649
C -0.954026 2.035674 0.679921
C -3.733950 -0.001967 -0.900475
C -3.021239 -0.765622 -1.826361
C -3.767750 1.740906 0.895928
C -1.675486 2.804797 1.595353
C -3.094607 2.655923 1.707362
H 3.104000 0.125727 -1.713798
H 3.416285 -0.965460 -0.323445
H 1.667085 -1.054704 1.466675
H -0.015836 -0.848525 0.927694
H 3.189279 1.046615 1.238650
H 2.939750 2.085693 -0.191095
H 2.002801 -2.872856 -0.248879
H 0.282365 -2.735324 -0.727510
H 5.227283 1.439128 -1.056735
H 5.478941 0.400719 0.362948
H 5.062104 3.478231 0.455102
H 6.620796 2.634258 0.681532
H 5.314314 2.437951 1.885085
H -1.058272 -1.218192 -2.679923
H -0.892440 -4.188331 2.509484
H -1.436670 -3.821575 0.831560
H -1.021542 -2.495277 1.970867
H 2.209857 -4.942454 0.741399
H 0.595166 -5.409438 0.097057
H 0.956224 -5.566280 1.851385
H 0.130495 2.164353 0.589387
H -4.822112 -0.105174 -0.812904
H -3.543230 -1.474728 -2.477821
H -4.855930 1.627149 0.972136
H -1.157201 3.532305 2.229579
H -3.648393 3.266801 2.428722


