%chk=000102635.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102635

0 1
 O   0.5360000       2.738900     -0.5747000    
 N    4.428900     -0.2444000      0.4079000    
 N   0.5997000       2.085000       1.612600    
 C   0.6222000      0.3191000     -0.1304000    
 C   0.5662000      0.2199000      -1.701200    
 C    1.973500     -0.2720000      0.4013000    
 C   0.6431000      -1.174200      -2.372400    
 C  -0.6325000     -0.3342000      0.4977000    
 C    3.241600      0.3967000     -0.1516000    
 C   0.5847000       1.832200      0.2562000    
 C   -1.892000      0.1050000      0.1504000    
 C    1.842900      -2.011800      -1.936700    
 C  -0.6449000      -1.950200      -2.061900    
 C  -0.3853000      -1.345500       1.392700    
 C   -2.998100     -0.5331000      0.7604000    
 C   -1.473000      -1.973000       1.992600    
 C   -2.118600       1.142200     -0.7691000    
 C   -2.771600      -1.570500       1.679500    
 C    4.455200     -9.4300002E-02   1.863000    
 C    5.642700      0.3177000     -0.1846000    
 C   -4.298400     -0.1151000      0.4330000    
 C   -3.417300       1.544500      -1.082400    
 C   -4.505100      0.9171000     -0.4825000    
 H  -0.2585000      0.7239000      -2.195600    
 H    1.420500      0.7897000      -2.093200    
 H    2.062600      -1.350800      0.3355000    
 H    1.973300     -8.2699999E-02   1.482100    
 H   0.7023000      -1.015900      -3.456900    
 H    3.238300       1.466500      9.4700001E-02
 H    3.285600      0.3420000      -1.240200    
 H    2.788200      -1.476600      -1.944900    
 H    1.679600      -2.577400      -1.018400    
 H    1.976300      -2.800400      -2.691800    
 H   -1.540700      -1.350100      -2.241600    
 H  -0.7113000      -2.802600      -2.750400    
 H  -0.6690000      -2.388000      -1.064700    
 H   0.5842000      -1.714400       1.693800    
 H   -1.312900      -2.776400       2.706000    
 H   -1.380800       1.769500      -1.230600    
 H   0.5783000       3.037900       1.960400    
 H   0.6089000       1.351200       2.312800    
 H   -3.606800      -2.075100       2.160600    
 H    3.721000     -0.7392000       2.355400    
 H    4.302500      0.9428000       2.183300    
 H    5.423200     -0.4225000       2.261600    
 H    6.532000     -0.1975000      0.1954000    
 H    5.747800       1.388400      2.5000000E-02
 H    5.643000      0.1767000      -1.271300    
 H   -5.163500     -0.5906000      0.8905000    
 H   -3.581100       2.361500      -1.779500    
 H   -5.515600       1.234000     -0.7233000    


%chk=000102635-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102635

0 1
O 1.014698 2.722744 -0.837739
N 4.539652 -0.072405 0.492786
N 0.351902 2.280619 1.332748
C 0.694663 0.328385 -0.182533
C 0.734697 0.083949 -1.737117
C 2.033312 -0.131828 0.514598
C 0.624083 -1.343096 -2.367968
C -0.545111 -0.332297 0.477035
C 3.300838 0.647483 0.096635
C 0.678844 1.881779 0.050120
C -1.899246 0.131908 0.199974
C 1.680505 -2.378323 -1.905391
C -0.794439 -1.966908 -2.319656
C -0.388586 -1.437365 1.329470
C -3.025244 -0.578552 0.784804
C -1.497718 -2.127209 1.906230
C -2.200409 1.268261 -0.629301
C -2.797548 -1.711002 1.633235
C 4.719897 -0.160081 1.957009
C 5.733009 0.504520 -0.162339
C -4.365925 -0.144425 0.513434
C -3.515502 1.669846 -0.873704
C -4.614906 0.957864 -0.303240
H -0.066109 0.692124 -2.196046
H 1.671170 0.544461 -2.100687
H 2.225428 -1.193486 0.293548
H 1.900572 -0.037538 1.609448
H 0.834688 -1.147190 -3.442913
H 3.274601 1.682281 0.522647
H 3.329149 0.761548 -1.001489
H 2.700509 -1.952516 -1.881205
H 1.448094 -2.777381 -0.900847
H 1.689150 -3.239880 -2.599976
H -1.566306 -1.240278 -2.633100
H -0.847313 -2.836342 -3.002945
H -1.056006 -2.321945 -1.308348
H 0.612534 -1.811986 1.555316
H -1.313848 -2.989899 2.555872
H -1.392728 1.851151 -1.077655
H 0.357483 3.277294 1.548041
H -0.017028 1.619786 2.016123
H -3.659449 -2.236310 2.061531
H 3.883231 -0.713241 2.416485
H 4.786493 0.843778 2.451732
H 5.649764 -0.713396 2.179599
H 6.623107 -0.100890 0.087171
H 5.939532 1.563018 0.140069
H 5.601579 0.483965 -1.258794
H -5.196021 -0.700663 0.965619
H -3.704567 2.542261 -1.508810
H -5.641878 1.281307 -0.504975


