%chk=000041503.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041503

0 1
 O   0.1700000       1.650300      -1.603900    
 N    3.859000       1.459300      0.3068000    
 N   -1.837000      0.1908000     -0.1424000    
 C    1.939200      0.5994000     -0.4016000    
 C   0.5377000      0.4800000     -0.8523000    
 C    2.873200     -0.4632000     -0.2493000    
 C    4.069400      0.1032000      0.1960000    
 C  -0.4567000      0.3132000      0.3212000    
 C    2.574500       1.768600     -5.2299999E-02
 C    2.815600      -1.857100     -0.4482000    
 C    5.215500     -0.6573000      0.4535000    
 C    4.841200       2.430500      0.7384000    
 C   -2.744900      1.2700000E-02  0.9806000    
 C    3.954100      -2.630500     -0.1945000    
 C    5.134600      -2.037700      0.2492000    
 C   -4.176100     -0.1124000      0.5304000    
 C   -4.956600       1.029000      0.4096000    
 C   -4.694800      -1.367100      0.2420000    
 C   -6.282500      0.9133000     -7.6000001E-03
 C   -6.020700      -1.482600     -0.1753000    
 C   -6.814500     -0.3423000     -0.3002000    
 H   0.4383000     -0.3677000      -1.540500    
 H  -0.3808000       1.187400      0.9810000    
 H  -0.1741000     -0.5707000      0.9072000    
 H    2.220200       2.790700     -2.6500000E-02
 H    1.903300      -2.335700     -0.7923000    
 H   -1.907900     -0.6079000     -0.7729000    
 H    6.137600     -0.2022000      0.7992000    
 H    5.687600       2.395100      4.7800001E-02
 H    4.398500       3.429800      0.7302000    
 H    5.156800       2.174000       1.752900    
 H   -2.665200      0.8604000       1.674000    
 H   -2.473300     -0.8799000       1.559700    
 H    3.915400      -3.706000     -0.3456000    
 H    6.006900      -2.657600      0.4400000    
 H   2.5699999E-02   2.380200     -0.9778000    
 H   -4.551800       2.012000      0.6331000    
 H   -4.084600      -2.261200      0.3341000    
 H   -6.900600       1.801000     -0.1054000    
 H   -6.435100      -2.460300     -0.4037000    
 H   -7.846800     -0.4324000     -0.6253000    


%chk=000041503-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041503

0 1
O -0.110621 1.745744 -0.972808
N 3.857153 1.608549 0.418976
N -1.781075 -0.218514 -0.103745
C 1.932961 0.613360 -0.330057
C 0.504268 0.431427 -0.760434
C 2.965910 -0.402440 -0.241506
C 4.160610 0.253303 0.234499
C -0.354590 -0.322735 0.298079
C 2.510513 1.814526 0.074090
C 3.016062 -1.795063 -0.519865
C 5.374188 -0.440258 0.438859
C 4.801642 2.633397 0.862251
C -2.771483 -0.451676 0.978969
C 4.224844 -2.490766 -0.319750
C 5.391236 -1.821837 0.156822
C -4.201549 -0.247860 0.491872
C -4.555546 0.907472 -0.252160
C -5.207163 -1.198345 0.795842
C -5.886285 1.107236 -0.679412
C -6.542323 -0.999067 0.373258
C -6.885741 0.155095 -0.366612
H 0.473443 -0.152584 -1.711926
H -0.237578 0.192135 1.269492
H 0.006313 -1.367668 0.421023
H 2.051410 2.799179 0.113179
H 2.131786 -2.325810 -0.892084
H -1.993596 -0.798392 -0.929104
H 6.274405 0.068975 0.800434
H 5.642419 2.736078 0.150540
H 4.282447 3.602539 0.928526
H 5.213196 2.389725 1.859593
H -2.539625 0.271077 1.787204
H -2.680085 -1.468213 1.428869
H 4.275967 -3.564277 -0.534197
H 6.315898 -2.391483 0.303141
H -1.090456 1.561485 -0.837789
H -3.780181 1.642003 -0.496415
H -4.945316 -2.098839 1.365738
H -6.145682 2.004316 -1.253145
H -7.308834 -1.743458 0.616823
H -7.918642 0.310765 -0.697771


