%chk=000027231.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027231

0 1
 O   -2.911900     -0.1917000      -1.252400    
 O   -4.348600       2.048600     -0.4531000    
 N   -7.635500     -0.7847000       1.624300    
 C    1.961500      0.4110000     -0.9687000    
 C   0.7661000     -0.4349000     -0.5245000    
 C    3.261600     -8.7300003E-02 -0.3300000    
 C  -0.5357000      8.0200002E-02  -1.134200    
 C    4.482900      0.7511000     -0.7236000    
 C   -1.735800     -0.7291000     -0.6633000    
 C    5.771300      0.2838000     -9.4700001E-02
 C    6.549500     -0.6559000     -0.7537000    
 C    6.156600      0.8013000       1.133000    
 C   -4.076800     -0.3282000     -0.5430000    
 C    7.741100      -1.088300     -0.1715000    
 C    7.348200      0.3690000       1.715000    
 C   -4.791000      0.7972000     -0.1466000    
 C    8.140400     -0.5758000       1.062900    
 C   -4.532500      -1.603600     -0.2273000    
 C   -5.975400      0.6453000      0.5747000    
 C   -5.716600      -1.755400      0.4938000    
 C   -6.438200     -0.6310000      0.8949000    
 C   -3.481200       2.678000      0.4880000    
 H    2.053000      0.3781000      -2.060900    
 H    1.796100       1.458300     -0.6882000    
 H   0.9234000      -1.479400     -0.8194000    
 H   0.6911000     -0.4152000      0.5696000    
 H    3.154200     -7.9700001E-02  0.7624000    
 H    3.428900      -1.133200     -0.6178000    
 H  -0.4812000      4.8099998E-02  -2.229600    
 H  -0.6852000       1.135200     -0.8727000    
 H    4.310300       1.801100     -0.4528000    
 H    4.592800      0.7486000      -1.816200    
 H   -1.629800      -1.775200     -0.9726000    
 H   -1.795900     -0.6918000      0.4322000    
 H    6.246000      -1.062400      -1.714200    
 H    5.545300       1.535700       1.649700    
 H    8.357800      -1.824400     -0.6789000    
 H    7.658800      0.7674000       2.676500    
 H    9.067900     -0.9126000       1.516300    
 H   -3.985200      -2.488000     -0.5409000    
 H   -6.534400       1.525500      0.8844000    
 H   -6.067900      -2.755300      0.7356000    
 H   -7.971800      -1.709800       1.856100    
 H   -8.159500      3.0099999E-02   1.914800    
 H   -3.163200       3.638000      7.2200000E-02
 H   -4.010300       2.861700       1.428400    
 H   -2.593500       2.065000      0.6716000    


%chk=000027231-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027231

0 1
O -2.827025 0.608512 -0.167771
O -5.207939 1.912830 -1.069612
N -7.967898 -1.647067 0.697365
C 2.158992 0.746755 -0.386968
C 0.919736 -0.070488 0.042399
C 3.490857 0.024802 -0.086412
C -0.411018 0.657035 -0.258007
C 4.735149 0.844456 -0.529348
C -1.625585 -0.162978 0.184879
C 6.043633 0.129113 -0.225816
C 6.548975 -0.862537 -1.107205
C 6.766979 0.402254 0.963853
C -4.081406 0.014840 0.111747
C 7.739184 -1.562973 -0.809118
C 7.958520 -0.295238 1.267789
C -5.246552 0.709059 -0.337061
C 8.448961 -1.282142 0.381903
C -4.248559 -1.222048 0.775314
C -6.523293 0.149954 -0.135352
C -5.529076 -1.781091 0.976630
C -6.689310 -1.104373 0.514229
C -4.444318 3.036316 -0.491529
H 2.095642 0.966065 -1.473294
H 2.148145 1.729059 0.129828
H 0.932380 -1.051332 -0.476920
H 0.987555 -0.290837 1.128341
H 3.565494 -0.187243 0.999342
H 3.506042 -0.959226 -0.597225
H -0.495374 0.862226 -1.342442
H -0.430121 1.636281 0.258606
H 4.712472 1.827412 -0.019035
H 4.653700 1.045548 -1.616251
H -1.650066 -1.146028 -0.332057
H -1.599360 -0.342792 1.281252
H 6.007654 -1.081564 -2.036643
H 6.395191 1.170234 1.654060
H 8.115693 -2.321939 -1.504717
H 8.505050 -0.066981 2.190195
H 9.374015 -1.821965 0.613871
H -3.375576 -1.776709 1.132144
H -7.385569 0.716833 -0.503258
H -5.623877 -2.746312 1.487782
H -8.090860 -2.539651 1.164319
H -8.791400 -1.164644 0.352397
H -4.587480 3.868861 -1.197901
H -4.854883 3.311842 0.500023
H -3.375776 2.783269 -0.398726


