%chk=000088430.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088430

0 1
 O   0.1657000       1.897700     -0.2895000    
 O   -3.141100      -2.276400      0.1497000    
 O   -1.204100      -3.941800     -4.6100002E-02
 O   -5.185500     -0.7456000      0.3539000    
 N    2.250800      0.3985000     -0.4981000    
 N   -1.750500       3.610300     -9.8300003E-02
 C  -6.5800004E-02 -0.4382000     -0.2261000    
 C  -0.9302000      -1.529100     -0.1123000    
 C   -2.045300       1.150800     -2.8000001E-02
 C   -2.909600      5.9900001E-02  8.6099997E-02
 C  -0.5919000      0.9416000     -0.1884000    
 C    1.309800     -0.6500000     -0.3772000    
 C   -2.383600      -1.319900      4.8099998E-02
 C  -0.4189000      -2.831800     -0.1503000    
 C   -2.556600       2.453600      9.2000002E-03
 C   -4.285300      0.2717000      0.2374000    
 C    1.815100      -1.949900     -0.4143000    
 C   0.9526000      -3.038500     -0.3013000    
 C   -3.928200       2.660200      0.1601000    
 C   -4.790700       1.571700      0.2738000    
 C    3.603300      0.5086000     -0.1303000    
 C    4.465200       1.330200     -0.8614000    
 C    4.092200     -0.2035000      0.9679000    
 C    5.807100       1.438700     -0.4969000    
 C    5.434200     -9.4800003E-02   1.332400    
 C    6.291700      0.7263000      0.6000000    
 H    2.871800      -2.155000     -0.5626000    
 H    1.355800      -4.047200     -0.3386000    
 H    1.892500       1.213900     -0.9860000    
 H   -4.341700       3.665500      0.1911000    
 H   -5.855800       1.754400      0.3905000    
 H  -0.7497000       3.535800     -0.2110000    
 H   -2.177300       4.526900     -6.5899998E-02
 H   -2.136100      -3.696300      5.1100001E-02
 H    4.100500       1.890200      -1.718900    
 H    3.443700     -0.8303000       1.574000    
 H   -6.081600     -0.3801000      0.4489000    
 H    6.474800       2.078100      -1.066900    
 H    5.810500     -0.6446000       2.190200    
 H    7.336200      0.8120000      0.8849000    


%chk=000088430-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088430

0 1
O 0.203478 1.996158 -0.252018
O -3.186309 -2.380370 0.076114
O -1.284296 -3.938774 -0.000548
O -5.266544 -0.788541 0.212949
N 2.237060 0.443422 -0.190390
N -1.767761 3.619802 -0.141355
C -0.062347 -0.393351 -0.106296
C -0.965456 -1.509555 -0.050044
C -2.062380 1.170307 -0.051015
C -2.968426 0.042242 0.035064
C -0.611189 0.960018 -0.138292
C 1.361672 -0.632515 -0.139973
C -2.417818 -1.323544 0.021572
C -0.459451 -2.850162 -0.056538
C -2.588414 2.517273 -0.053663
C -4.370625 0.279550 0.125166
C 1.829653 -1.992370 -0.187065
C 0.948179 -3.067358 -0.147839
C -4.003818 2.703111 0.040597
C -4.867007 1.613335 0.128246
C 3.642904 0.463194 -0.012655
C 4.382026 1.460034 -0.710315
C 4.330740 -0.402745 0.883759
C 5.775082 1.574447 -0.530206
C 5.727191 -0.286334 1.048301
C 6.460381 0.695861 0.342371
H 2.900152 -2.181151 -0.297684
H 1.306539 -4.099440 -0.200198
H 1.718520 1.351323 -0.304902
H -4.406724 3.722242 0.042488
H -5.949409 1.784497 0.199495
H -0.753557 3.424865 -0.214883
H -2.162535 4.557406 -0.134106
H -2.270132 -3.537939 0.044895
H 3.854873 2.129430 -1.399649
H 3.772705 -1.127969 1.483675
H -6.195731 -0.444173 0.269617
H 6.328168 2.345491 -1.078102
H 6.240931 -0.955985 1.747277
H 7.543675 0.781866 0.477052


