%chk=000124496.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124496

0 1
 O  -0.4634000      -1.778300     -0.3704000    
 O    4.204300      -3.782800     -4.8300002E-02
 N    2.112200       1.344000      0.1235000    
 N   -2.589500      0.1137000     -0.4469000    
 N    2.731800       2.529800      0.2755000    
 N    1.788500       3.479900      0.2511000    
 N   -4.744300      -1.583800      0.3485000    
 C   0.7701000       1.520200      6.9999998E-04
 C  -0.2004000      0.5557000     -0.1702000    
 C   -1.511900       1.006000     -0.2695000    
 C    2.674900      6.0199998E-02  8.4200002E-02
 C    1.789800      -1.036900     -8.7800004E-02
 C   0.5665000       2.874400      8.1699997E-02
 C   0.2977000     -0.8336000     -0.2240000    
 C   -3.948200      0.5477000     -0.5533000    
 C   -1.778300       2.385100     -0.1930000    
 C  -0.7512000       3.341500     -1.7000001E-02
 C   -4.868200     -0.6507000     -0.7660000    
 C    4.048700     -0.1296000      0.2093000    
 C    2.312400      -2.329600     -0.1316000    
 C    3.691400      -2.520700     -6.0000001E-03
 C    4.551800      -1.430000      0.1628000    
 C   -5.596100      -2.755100      0.1362000    
 C   -5.088500     -0.9271000       1.610500    
 H   -4.261100       1.146300      0.3091000    
 H   -4.057300       1.192700      -1.435100    
 H   -2.376600     -0.8768000     -0.4829000    
 H   -2.788500       2.780000     -0.2683000    
 H  -0.9843000       4.399500      3.8100000E-02
 H   -5.901700     -0.3010000     -0.8869000    
 H   -4.583700      -1.153700      -1.699500    
 H    4.734500      0.7016000      0.3412000    
 H    1.665100      -3.192700     -0.2618000    
 H    5.623600      -1.584500      0.2600000    
 H   -5.322400      -3.266500     -0.7935000    
 H   -6.658400      -2.490100      8.4799998E-02
 H   -5.459900      -3.482700      0.9440000    
 H   -4.319600     -0.2170000       1.929800    
 H   -5.140400      -1.665200       2.420500    
 H   -6.057500     -0.4165000       1.566800    
 H    5.170300      -3.734200      5.3399999E-02


%chk=000124496-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000124496

0 1
O -0.767153 -1.651085 0.063396
O 3.725467 -4.007600 0.327039
N 2.123209 1.364260 -0.096734
N -2.658816 0.410741 -0.185332
N 2.881159 2.620042 -0.170623
N 1.968147 3.595568 -0.266764
N -4.578093 -1.573044 0.286650
C 0.787646 1.640939 -0.152192
C -0.254914 0.702749 -0.111977
C -1.586231 1.257574 -0.197691
C 2.586540 0.038789 0.009983
C 1.585732 -0.995497 0.060569
C 0.668232 3.043844 -0.260563
C 0.107757 -0.706427 0.005856
C -4.065083 0.808845 -0.265237
C -1.734951 2.701217 -0.299520
C -0.644459 3.585991 -0.333044
C -4.915803 -0.439192 -0.596619
C 3.962626 -0.274395 0.064970
C 2.011859 -2.339291 0.167455
C 3.382541 -2.649492 0.221528
C 4.360812 -1.617690 0.170375
C -4.905753 -2.893292 -0.286824
C -5.057937 -1.417650 1.673532
H -4.400358 1.271171 0.687813
H -4.216700 1.562551 -1.062565
H -2.472587 -0.602061 -0.034923
H -2.745298 3.117673 -0.343642
H -0.805674 4.665682 -0.410059
H -5.997179 -0.154101 -0.554258
H -4.695250 -0.747275 -1.635353
H 4.698132 0.533186 0.024360
H 1.256956 -3.129655 0.207536
H 5.429181 -1.865244 0.213295
H -4.433614 -2.996436 -1.279356
H -6.004409 -3.070457 -0.399272
H -4.496506 -3.685847 0.363900
H -4.678525 -0.477621 2.110398
H -4.671457 -2.248433 2.288886
H -6.174027 -1.413540 1.752729
H 4.706985 -4.126299 0.361977


