%chk=000152576.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152576

0 1
 O    4.721400     -0.9347000       2.975400    
 O    4.079100      -1.737100      0.9510000    
 N  -0.1647000      0.5446000      -1.607800    
 N   -3.293300     -0.6360000      0.9188000    
 C   -1.225100      0.1442000     -0.7508000    
 C   -1.971300       1.113000     -7.2099999E-02
 C   -1.514100      -1.215100     -0.5938000    
 C   -3.010700      0.6720000      0.7641000    
 C   -2.571600      -1.565100      0.2628000    
 C    1.200900      0.7615000      -1.380800    
 C   -1.702700       2.485900     -0.2113000    
 C  -0.7808000      -2.210100      -1.263600    
 C    1.742700      0.5811000     -0.1030000    
 C    3.102200      0.7966000      0.1225000    
 C   -3.757200       1.631800       1.442400    
 C   -2.864400      -2.916800      0.4230000    
 C    2.036800       1.160000      -2.430200    
 C   -2.463900       3.425300      0.4779000    
 C   -1.093600      -3.554500      -1.086200    
 C   -3.493200       2.997000       1.306400    
 C   -2.137600      -3.908200     -0.2409000    
 C    3.929100       1.193900     -0.9283000    
 C    3.671900      0.6033000       1.486800    
 C    3.396300       1.375400      -2.204600    
 C    4.163700     -0.8079000       1.742300    
 H  -0.4709000      0.7012000      -2.563600    
 H  -0.9084000       2.855600     -0.8545000    
 H   3.8699999E-02  -1.968200      -1.935300    
 H    1.111500      0.2695000      0.7261000    
 H   -4.569200       1.321400       2.097600    
 H   -3.677900      -3.219500       1.079800    
 H    1.636200       1.305400      -3.430500    
 H   -2.255400       4.485000      0.3679000    
 H  -0.5265000      -4.321000      -1.605300    
 H   -4.093400       3.721700       1.848600    
 H   -2.390100      -4.954400     -9.5500000E-02
 H    4.990400       1.363200     -0.7663000    
 H    2.916800      0.8438000       2.245000    
 H    4.513000       1.290800       1.638100    
 H    4.040300       1.684100      -3.023000    
 H    5.038800      -1.848100       3.140400    


%chk=000152576-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152576

0 1
O 4.695483 -2.305047 2.223410
O 3.324415 -2.513619 0.361170
N -0.123717 1.167862 -1.324780
N -3.388039 -0.526819 0.921926
C -1.147853 0.581171 -0.547105
C -2.250052 1.412451 -0.149331
C -1.177134 -0.814649 -0.213810
C -3.365352 0.793675 0.557763
C -2.317418 -1.304361 0.560161
C 1.283838 1.052923 -1.207003
C -2.298863 2.829618 -0.395971
C -0.183321 -1.765703 -0.637567
C 1.913038 0.499740 -0.061425
C 3.320353 0.405247 0.010347
C -4.499049 1.604886 0.917251
C -2.358056 -2.692973 0.939302
C 2.090209 1.557175 -2.265414
C -3.409044 3.586268 -0.024998
C -0.262524 -3.103532 -0.260268
C -4.528820 2.964758 0.624676
C -1.353008 -3.571520 0.548790
C 4.115615 0.904929 -1.049685
C 3.970386 -0.253507 1.212920
C 3.493775 1.488594 -2.176919
C 3.929579 -1.779516 1.167666
H -0.438096 1.887654 -1.978762
H -1.437185 3.336982 -0.845223
H 0.655542 -1.439804 -1.255886
H 1.301894 0.134403 0.769930
H -5.323055 1.101943 1.432618
H -3.218548 -3.016641 1.532823
H 1.614093 1.987864 -3.155196
H -3.423266 4.665474 -0.212840
H 0.518471 -3.799911 -0.581630
H -5.396915 3.571556 0.904651
H -1.395204 -4.625760 0.844412
H 5.207995 0.836597 -0.996398
H 3.473794 0.045523 2.156664
H 5.028640 0.044745 1.320629
H 4.105020 1.881169 -2.996877
H 4.646181 -3.299242 2.199480


