%chk=000059472.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059472

0 1
 O   -2.006800       1.887400     -0.3174000    
 N    2.591300      0.4060000      0.4440000    
 N    3.131000      5.8699999E-02 -0.8604000    
 C    1.261200     -0.1313000      0.7206000    
 C   0.3128000      0.2236000     -0.4391000    
 C   0.7849000      0.4301000       2.060400    
 C   -1.083800     -0.3240000     -0.2671000    
 C    3.552300      3.6800001E-02   1.479400    
 C   -2.168200      0.5384000     -0.2158000    
 C   -1.251900      -1.696600     -0.1631000    
 C    3.380100      -1.379100     -0.9141000    
 C    4.305200      0.8287000      -1.263500    
 C   -3.451700      1.5699999E-02 -5.6699999E-02
 C   -2.535500      -2.219100     -3.8000001E-03
 C   -3.635300      -1.362900      4.9500000E-02
 C   -3.185600       2.687600     -0.2528000    
 H    1.297700      -1.220800      0.8401000    
 H   0.6765000     -0.1792000      -1.393600    
 H   0.2962000       1.313100     -0.5693000    
 H  -0.2573000      0.1581000       2.258400    
 H   0.8424000       1.524700       2.083300    
 H    1.353800      3.4200002E-02   2.907900    
 H    3.525800      -1.028400       1.739800    
 H    3.355600      0.6014000       2.398000    
 H    4.587900      0.3010000       1.243600    
 H  -0.4082000      -2.378200     -0.2167000    
 H    2.494600      -1.987300     -0.7068000    
 H    4.202300      -1.715900     -0.2727000    
 H    3.665000      -1.648500      -1.939500    
 H    4.490300      0.6824000      -2.333900    
 H    5.222200      0.5501000     -0.7344000    
 H    4.132600       1.901300      -1.120300    
 H   -4.352300      0.6179000     -6.8999999E-03
 H   -2.678900      -3.292700      7.5400002E-02
 H   -4.634300      -1.771100      0.1727000    
 H   -3.683500       2.595600      0.7185000    
 H   -3.860900       2.480700      -1.090000    
 H   -2.871100       3.732000     -0.3500000    


%chk=000059472-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059472

0 1
O -2.006223 1.882655 0.143744
N 2.645628 0.377633 0.386714
N 3.117240 -0.414063 -0.744723
C 1.223820 0.033041 0.711746
C 0.330769 0.397334 -0.513145
C 0.746714 0.768348 1.980302
C -1.048548 -0.235830 -0.457172
C 3.585068 0.396420 1.539444
C -2.216819 0.514273 -0.126723
C -1.215916 -1.613148 -0.738511
C 3.616338 -1.774440 -0.422819
C 4.036953 0.361315 -1.595960
C -3.494390 -0.097592 -0.083613
C -2.482321 -2.241054 -0.695620
C -3.621926 -1.476759 -0.366704
C -3.177154 2.704069 0.447515
H 1.124193 -1.068129 0.894423
H 0.872207 0.036206 -1.406149
H 0.256000 1.496077 -0.570252
H -0.338333 0.609669 2.101482
H 0.918843 1.855759 1.881856
H 1.247434 0.405237 2.895096
H 3.621011 -0.554095 2.124253
H 3.308613 1.211550 2.226764
H 4.602034 0.610550 1.164674
H -0.327089 -2.196306 -1.011308
H 2.877067 -2.304547 0.203202
H 4.599658 -1.786774 0.106944
H 3.731791 -2.339595 -1.365230
H 4.195767 -0.184557 -2.544819
H 5.040535 0.542566 -1.135521
H 3.574470 1.336476 -1.814132
H -4.387360 0.483554 0.166345
H -2.577986 -3.308213 -0.923040
H -4.612344 -1.944822 -0.332548
H -3.687656 2.359845 1.368683
H -3.898730 2.708060 -0.393192
H -2.782955 3.719688 0.601694


