%chk=000039196.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039196

0 1
 O    3.472900       1.251900      0.9292000    
 O   -4.008400       1.059900      -1.058200    
 O    2.134000     -0.5464000      0.4778000    
 N    6.425500     -0.7951000      4.3000001E-03
 N    1.323500       1.652600      0.3852000    
 C    5.306900      0.1248000     -0.1504000    
 C    4.568400      0.3610000       1.169300    
 C    5.948400      -2.174700      0.1211000    
 C    7.353900     -0.6742000      -1.122000    
 C   -6.899300      -1.088000      1.2100000E-02
 C   -8.403500     -0.8568000      0.1814000    
 C   -6.142200      0.1544000     -0.4544000    
 C    5.447800      0.9907000       2.242200    
 C   -9.157300      -2.093700      0.6720000    
 C   -4.658100     -0.1325000     -0.6399000    
 C    7.101500      -3.136900      0.3508000    
 C    6.682700      -1.056900      -2.430100    
 C   -10.65400      -1.834000      0.7541000    
 C    2.285000      0.6646000      0.5837000    
 C   -2.693400       1.206100     -0.7002000    
 C  -1.5799999E-02   1.503700      2.4100000E-02
 C   -2.165400       2.479900     -0.4894000    
 C   -1.882600      8.1100002E-02 -0.5489000    
 C  -0.8267000       2.628600     -0.1272000    
 C  -0.5438000      0.2300000     -0.1867000    
 H    4.585900     -0.2178000     -0.9038000    
 H    5.656300       1.104700     -0.5053000    
 H    4.186200     -0.5758000       1.589400    
 H    5.312200      -2.262600       1.008900    
 H    5.327300      -2.507200     -0.7181000    
 H    8.266000      -1.260400     -0.9684000    
 H    7.707000      0.3630000      -1.189900    
 H   -6.742900      -1.899800     -0.7093000    
 H   -6.480700      -1.428900      0.9672000    
 H   -8.563700     -3.3100002E-02  0.8881000    
 H   -8.822700     -0.5342000     -0.7798000    
 H   -6.270800      0.9690000      0.2692000    
 H   -6.562800      0.5220000      -1.398700    
 H    5.854800       1.949100       1.901100    
 H    6.278500      0.3377000       2.525100    
 H    4.857400       1.204600       3.140100    
 H   -8.975300      -2.933300     -8.7000001E-03
 H   -8.783700      -2.388400       1.659300    
 H   -4.517000     -0.9053000      -1.404500    
 H   -4.264100     -0.4928000      0.3194000    
 H    6.709200      -4.109500      0.6689000    
 H    7.772600      -2.783700       1.141400    
 H    7.686400      -3.317000     -0.5561000    
 H    7.393600     -0.8825000      -3.247200    
 H    5.803000     -0.4523000      -2.666700    
 H    6.416500      -2.115700      -2.490200    
 H   -10.87250      -1.016100       1.448000    
 H   -11.06140      -1.570900     -0.2272000    
 H   -11.17450      -2.729000       1.109000    
 H    1.642200       2.608900      0.5221000    
 H   -2.792400       3.359500     -0.6062000    
 H   -2.247800     -0.9253000     -0.7313000    
 H  -0.4283000       3.627200      3.3599999E-02
 H   2.4499999E-02 -0.6853000     -9.5200002E-02


%chk=000039196-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039196

0 1
O 3.717551 1.528911 0.753236
O -4.130471 1.203681 0.086718
O 2.361843 -0.405881 0.853677
N 6.362068 -0.957221 -0.294003
N 1.488014 1.771390 0.506297
C 5.363302 0.123615 -0.459023
C 4.938114 0.673672 0.926082
C 5.737216 -2.290775 -0.086094
C 7.482717 -0.918384 -1.265707
C -7.109683 -1.180724 0.093595
C -8.631261 -0.944057 -0.037026
C -6.295262 0.132050 0.037115
C 5.996550 1.558586 1.578342
C -9.457960 -2.249239 0.005932
C -4.791764 -0.110724 0.183252
C 6.692983 -3.314369 0.554177
C 7.125694 -1.240639 -2.743471
C -10.977126 -2.004057 -0.120325
C 2.488925 0.839437 0.712126
C -2.730690 1.240860 0.201858
C 0.085260 1.543461 0.410786
C -2.143496 2.526736 0.100613
C -1.902702 0.110310 0.406397
C -0.751289 2.674804 0.203885
C -0.501875 0.258345 0.511150
H 4.453015 -0.217555 -1.002753
H 5.806879 0.950112 -1.046027
H 4.659272 -0.171822 1.581164
H 4.866875 -2.144966 0.579815
H 5.324830 -2.708547 -1.037946
H 8.264408 -1.619637 -0.918827
H 7.930652 0.092689 -1.213424
H -6.776111 -1.861796 -0.717237
H -6.904311 -1.707913 1.048966
H -8.968712 -0.270124 0.777755
H -8.839150 -0.410262 -0.987781
H -6.625754 0.817908 0.840751
H -6.480161 0.650655 -0.923331
H 6.162919 2.474394 0.982652
H 6.941155 0.989231 1.629842
H 5.700365 1.853961 2.599381
H -9.121883 -2.920892 -0.810448
H -9.246643 -2.783833 0.954759
H -4.415729 -0.776809 -0.622119
H -4.557069 -0.575065 1.164482
H 6.149945 -4.250061 0.782040
H 7.109878 -2.911817 1.494458
H 7.535260 -3.573605 -0.112841
H 8.023704 -1.145288 -3.382245
H 6.358197 -0.545481 -3.131255
H 6.741436 -2.270527 -2.855573
H -11.344080 -1.358118 0.699567
H -11.220189 -1.502387 -1.076011
H -11.544432 -2.952170 -0.082917
H 1.813597 2.736883 0.424280
H -2.794046 3.391930 -0.057754
H -2.329194 -0.893667 0.487960
H -0.309759 3.676216 0.124063
H 0.137176 -0.612524 0.671065


