%chk=000020380.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020380

0 1
 O    3.145700       1.335200       1.075700    
 O   0.4645000       3.334700      0.9204000    
 N  -2.1000000E-02  0.8711000     -1.1300000E-02
 N  -0.8561000      0.9126000     -0.9374000    
 C    1.250800       1.484900     -0.4068000    
 C    2.359900      0.7519000      0.3308000    
 C    2.508300     -0.7227000      0.1440000    
 C    1.112100       2.952200     -5.4000001E-02
 C    2.130500      -1.274700      -1.057800    
 C    3.016300      -1.469400       1.181500    
 C   -2.055300      0.3141000     -0.5159000    
 C   -4.430400     -0.8717000      0.3210000    
 C   -3.037500       1.089200      9.3500003E-02
 C   -2.252500      -1.049900     -0.7095000    
 C   -4.227700      0.4949000      0.5128000    
 C   -3.442700      -1.644100     -0.2902000    
 C    1.834400       3.934200     -0.9403000    
 C    2.268800      -2.651800      -1.232100    
 C    3.154500      -2.846400       1.007000    
 C    2.780800      -3.437600     -0.1997000    
 C   -5.703400      -1.506700      0.7683000    
 H    1.428200       1.419200      -1.487100    
 H    1.744400     -0.6920000      -1.886000    
 H    3.305700      -1.023200       2.127900    
 H   -2.888100       2.154800      0.2459000    
 H   -1.488400      -1.658800      -1.185500    
 H   -4.990400       1.107700      0.9859000    
 H   -3.589500      -2.709500     -0.4470000    
 H    2.904500       3.713400     -0.9369000    
 H    1.438100       3.870100      -1.956700    
 H    1.682000       4.950100     -0.5656000    
 H    1.980800      -3.112100      -2.172800    
 H    3.552000      -3.458600       1.811300    
 H    2.888900      -4.509600     -0.3356000    
 H   -5.544500      -2.551800       1.055000    
 H   -6.114400     -0.9935000       1.644400    
 H   -6.443500      -1.472700     -3.7400000E-02


%chk=000020380-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000020380

0 1
O 2.547342 1.591187 1.377478
O 0.073567 3.702526 -0.739658
N -0.306507 1.098933 -0.003300
N -0.950994 0.315881 -0.814038
C 1.042185 1.467773 -0.541309
C 2.107366 0.884726 0.425472
C 2.565411 -0.525198 0.219852
C 1.120091 3.014555 -0.692198
C 1.981235 -1.395945 -0.742602
C 3.622443 -1.006297 1.043467
C -2.272839 -0.047591 -0.380892
C -4.911408 -0.887310 0.275580
C -2.911551 0.466264 0.782820
C -2.955041 -0.968642 -1.212897
C -4.212734 0.045003 1.097749
C -4.260982 -1.385972 -0.882040
C 2.502927 3.619212 -0.857256
C 2.457478 -2.717038 -0.880195
C 4.098258 -2.322529 0.898020
C 3.517687 -3.181783 -0.067428
C -6.320547 -1.320163 0.632811
H 1.182913 1.045784 -1.560277
H 1.141439 -1.059661 -1.360244
H 4.049864 -0.325763 1.787346
H -2.373206 1.186707 1.406220
H -2.446182 -1.340548 -2.108503
H -4.708678 0.441482 1.992224
H -4.783176 -2.100921 -1.527994
H 2.973077 3.699766 0.140176
H 3.159936 2.979382 -1.474932
H 2.417325 4.622142 -1.303493
H 2.000139 -3.385781 -1.617303
H 4.916057 -2.682887 1.531306
H 3.887015 -4.207110 -0.181914
H -6.699562 -2.088570 -0.061975
H -6.364760 -1.735146 1.657144
H -7.019789 -0.462967 0.602584


