%chk=000060145.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060145

0 1
 O  -0.4166000      0.3743000      0.4828000    
 O   -3.940500      0.4182000      0.6662000    
 O   -3.496800      0.7649000      -2.170300    
 O   -1.837100      0.1261000       2.274000    
 N    3.756700      0.2982000     -0.8683000    
 C    2.443500     -0.2352000     -0.3942000    
 C    2.720100      -1.646500      0.1232000    
 C    4.790300     -0.6258000     -0.3788000    
 C    4.097600      -1.972900     -0.4235000    
 C    1.943100      0.7438000      0.6217000    
 C    3.890200       1.649700     -0.2817000    
 C    2.759100       1.800100      0.6802000    
 C   0.6848000      0.5353000       1.382100    
 C   -2.728300      2.4200000E-02  2.7999999E-03
 C   -2.923300      -1.463400     -0.4186000    
 C   -2.494300       1.004700      -1.174900    
 C   -1.633300      0.1747000       1.066300    
 C   -3.352700      -2.401800      0.7129000    
 C   -1.683900      -2.047200      -1.117100    
 C   -2.578700       2.478500     -0.7846000    
 H    1.757600     -0.2719000      -1.249200    
 H    1.972100      -2.366300     -0.2242000    
 H    2.741800      -1.682600       1.219300    
 H    5.090300     -0.4076000      0.6545000    
 H    5.680500     -0.6013000      -1.014100    
 H    4.612000      -2.730200      0.1749000    
 H    4.023000      -2.338200      -1.455000    
 H    3.795500       2.397500      -1.076600    
 H    4.854500       1.808100      0.2134000    
 H    2.614800       2.663700       1.312800    
 H   0.4870000       1.393800       2.035400    
 H   0.7761000     -0.3606000       2.006900    
 H   -3.747900      -1.497900      -1.143700    
 H   -1.526300      0.8189000      -1.652600    
 H   -3.469700      -3.425700      0.3398000    
 H   -4.317400      -2.109900       1.138300    
 H   -2.612600      -2.428700       1.518700    
 H   -1.386600      -1.446100      -1.980900    
 H   -1.894200      -3.057500      -1.485800    
 H  -0.8316000      -2.118800     -0.4341000    
 H   -2.392500       3.111100      -1.659900    
 H   -1.847100       2.740900     -1.5500000E-02
 H   -3.579600       2.741400     -0.4259000    
 H   -4.009500     -6.0699999E-02   1.508700    
 H   -3.309900       1.352600      -2.922300    


%chk=000060145-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060145

0 1
O -0.454649 0.718241 0.234776
O -3.965866 -0.263477 0.700222
O -4.309722 0.832993 -1.816908
O -1.802048 0.427327 2.114201
N 3.748070 -0.346402 -0.685973
C 2.380682 -0.552586 -0.073468
C 2.574125 -1.643219 1.023414
C 4.705980 -1.312436 -0.080139
C 3.802330 -2.429073 0.497184
C 1.973995 0.839179 0.397287
C 4.107413 1.099010 -0.623413
C 2.933483 1.750909 0.088097
C 0.703355 1.104900 1.136829
C -2.759232 0.009205 -0.108667
C -2.455200 -1.308747 -0.903064
C -3.126107 1.218680 -1.039673
C -1.637643 0.395413 0.865142
C -1.951924 -2.420583 0.046962
C -1.516976 -1.129527 -2.117533
C -3.379127 2.524326 -0.266053
H 1.662917 -0.923982 -0.834669
H 1.681137 -2.278588 1.156183
H 2.814490 -1.172639 1.996610
H 5.298472 -0.839244 0.741459
H 5.421290 -1.700961 -0.828441
H 4.311158 -3.014846 1.281778
H 3.495134 -3.121738 -0.307770
H 4.252757 1.536236 -1.633888
H 5.062213 1.254690 -0.070009
H 2.889087 2.823510 0.304285
H 0.576683 2.171258 1.391008
H 0.607774 0.502720 2.059470
H -3.450139 -1.606304 -1.287279
H -2.327639 1.366212 -1.783082
H -1.935736 -3.391622 -0.479890
H -2.611395 -2.520513 0.926771
H -0.920772 -2.216393 0.397862
H -1.978751 -0.496055 -2.893856
H -1.317804 -2.117532 -2.572259
H -0.548429 -0.685442 -1.827421
H -3.732714 3.295745 -0.970624
H -2.457463 2.897197 0.218556
H -4.151678 2.379944 0.510623
H -3.745121 -0.060879 1.651698
H -4.986214 0.528993 -1.153235


