%chk=000036291.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036291

0 1
 O   -1.128500       1.018000     -0.9406000    
 O    2.838000      0.6647000      0.3934000    
 N   -3.726100      -1.278400      0.2928000    
 N    1.106500     -0.4913000     -0.5024000    
 C   -2.546900     -0.8471000     -0.4086000    
 C   -3.912000      -2.733600      0.1831000    
 C   -4.927300     -0.5911000     -0.2059000    
 C   -2.324500      0.6469000     -0.2593000    
 C   -2.698200      -3.487500      0.6859000    
 C   -6.157900     -0.9783000      0.5879000    
 C  -0.4348000       2.079500     -0.4390000    
 C   0.8860000       1.935000     -1.3000000E-03
 C    1.555200      0.6650000     -6.5800004E-02
 C   -1.067000       3.320900     -0.3687000    
 C    1.567200       3.045800      0.5074000    
 C    3.238100     -0.6302000      0.2264000    
 C    2.176100      -1.334400     -0.3217000    
 C  -0.3822000       4.424700      0.1396000    
 C   0.9348000       4.287100      0.5776000    
 C    4.475700      -1.179400      0.5376000    
 C    2.336400      -2.701200     -0.5911000    
 C    4.619100      -2.543600      0.2629000    
 C    3.572300      -3.291500     -0.2902000    
 H   -2.580600      -1.107300      -1.475300    
 H   -1.641500      -1.320600     -1.3200000E-02
 H   -4.745600      -3.061900      0.8122000    
 H   -4.132200      -3.037300     -0.8481000    
 H   -4.843700      0.4908000     -7.1800001E-02
 H   -5.092500     -0.7814000      -1.273800    
 H   -2.263900      0.9128000      0.8048000    
 H   -3.121500       1.231700     -0.7260000    
 H   -1.858800      -3.446700     -1.5500000E-02
 H   -2.365200      -3.119500       1.662500    
 H   -2.948800      -4.547700      0.8070000    
 H   -6.521100      -1.979700      0.3374000    
 H   -5.980100     -0.9239000       1.667500    
 H   -6.976500     -0.2864000      0.3586000    
 H   -2.089200       3.447800     -0.7145000    
 H    2.593900       2.984300      0.8596000    
 H  -0.8737000       5.391900      0.1923000    
 H    1.467700       5.147100      0.9727000    
 H    5.278800     -0.5923000      0.9653000    
 H    1.531700      -3.290100      -1.018900    
 H    5.564300      -3.033800      0.4839000    
 H    3.719700      -4.350000     -0.4902000    


%chk=000036291-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036291

0 1
O -0.918699 0.399844 0.283440
O 3.342904 0.840036 -0.187652
N -4.194762 -1.374499 0.176876
N 1.614309 -0.719176 -0.268552
C -2.721395 -1.194992 0.190287
C -4.651808 -2.610816 0.864549
C -4.780130 -1.198328 -1.180637
C -2.384973 0.283284 0.426585
C -4.552943 -2.511995 2.398528
C -6.248923 -0.734089 -1.150287
C -0.326078 1.643114 0.457467
C 1.098052 1.718741 0.291964
C 1.914083 0.558080 -0.050680
C -1.060982 2.811970 0.784494
C 1.732208 2.981781 0.466923
C 3.901297 -0.407463 -0.517317
C 2.843031 -1.360121 -0.566275
C -0.403537 4.047619 0.950677
C 0.998496 4.136790 0.792614
C 5.242141 -0.723043 -0.766567
C 3.121877 -2.707245 -0.879581
C 5.508304 -2.078436 -1.080495
C 4.468601 -3.050435 -1.135531
H -2.236549 -1.531844 -0.753487
H -2.273854 -1.791388 1.003654
H -5.710102 -2.774782 0.591487
H -4.089260 -3.509747 0.506176
H -4.180215 -0.432326 -1.707579
H -4.690480 -2.135422 -1.786262
H -2.702461 0.592500 1.441310
H -2.887986 0.929887 -0.321031
H -3.510796 -2.362801 2.735282
H -5.154540 -1.661183 2.763213
H -4.925920 -3.440071 2.870808
H -6.905905 -1.473585 -0.657937
H -6.335171 0.217164 -0.596663
H -6.627801 -0.583675 -2.178520
H -2.145507 2.759317 0.911138
H 2.816574 3.035147 0.340062
H -0.988927 4.938485 1.203876
H 1.512262 5.094383 0.921604
H 6.035790 0.027478 -0.722775
H 2.318834 -3.448481 -0.920432
H 6.539630 -2.385006 -1.285828
H 4.722510 -4.086874 -1.382424


