%chk=000122057.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122057

0 1
 O   8.8200003E-02  -1.208900       1.458400    
 O    2.457900      -4.243800       1.479600    
 O    3.536100      -2.253600       1.210400    
 O   -2.015900      0.1380000      -1.463700    
 O   -5.883200      -1.213700     -0.9549000    
 N    1.482500      -1.414200     -0.3774000    
 N  -0.9941000      0.9462000      0.4673000    
 N   -4.414500      0.5806000     -0.6296000    
 N    1.481200       3.323300     -0.9760000    
 N    2.878400       4.608200      0.2982000    
 C    1.708000      -2.848600     -0.2556000    
 C    2.310700      -3.260900      -1.593500    
 C    2.136400     -0.8774000      -1.568000    
 C    3.036600      -2.001100      -2.059100    
 C   0.3692000      0.7168000      8.6599998E-02
 C   0.6224000     -0.7218000      0.4607000    
 C    1.345900       1.631900      0.8085000    
 C   -3.390500      0.9535000      0.3047000    
 C   -3.672500      8.4899999E-02   1.515900    
 C    2.671900      -3.049800      0.8748000    
 C    1.134000       3.093900      0.4411000    
 C   -2.080700      0.6365000     -0.3430000    
 C   -4.366400      -1.149900      0.9416000    
 C   -5.016000     -0.6343000     -0.3193000    
 C    2.117800       3.985000       1.125600    
 C    2.456400       4.179000     -0.9334000    
 H   0.7609000      -3.351900     -3.3700000E-02
 H    2.980200      -4.123900      -1.527800    
 H    1.509400      -3.499700      -2.303300    
 H    2.691800      3.5500001E-02  -1.339700    
 H    1.362000     -0.6549000      -2.310300    
 H    3.190300      -1.974000      -3.141500    
 H    4.018600      -1.935700      -1.575800    
 H   0.4277000      0.8572000     -0.9953000    
 H    2.378500       1.333600      0.5854000    
 H    1.236500       1.516900       1.895800    
 H   -3.455900       2.024100      0.5198000    
 H   -1.170400       1.319200       1.396100    
 H   -4.373700      0.6058000       2.180600    
 H   -2.794500     -0.1836000       2.110300    
 H   0.1201000       3.443000      0.6601000    
 H   -5.112400      -1.553900       1.630100    
 H   -3.642800      -1.925700      0.6728000    
 H   -4.651300       1.123000      -1.454700    
 H    2.152200       4.081000       2.219200    
 H    3.080700      -4.395100       2.222300    
 H    2.941700       4.557500      -1.845200    


%chk=000122057-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122057

0 1
O 0.534918 -1.985762 1.634746
O 4.204557 -3.332691 2.201342
O 3.804118 -1.078178 1.797810
O -2.271968 1.471055 -0.451634
O -6.059991 2.854286 1.034783
N 1.918193 -1.775752 -0.213352
N -1.257188 -0.255503 0.734569
N -4.357869 1.333479 1.623812
N 1.510870 2.013935 -1.745582
N 2.036061 4.176674 -0.957947
C 2.836701 -2.817434 0.294044
C 3.762404 -3.111014 -0.925232
C 2.320974 -1.258116 -1.556047
C 3.771867 -1.767629 -1.699524
C 0.064921 -0.137970 0.097530
C 0.853887 -1.383744 0.550959
C 0.835212 1.161512 0.527833
C -3.661428 0.154442 1.103827
C -4.699464 -0.407991 0.065019
C 3.631605 -2.275477 1.491132
C 0.690717 2.290496 -0.525080
C -2.332786 0.525239 0.402345
C -5.532597 0.826776 -0.356844
C -5.391877 1.811044 0.817057
C 1.142422 3.674574 -0.113662
C 2.221390 3.112216 -1.928147
H 2.285913 -3.708422 0.637704
H 4.763071 -3.450453 -0.613892
H 3.304239 -3.909179 -1.536498
H 2.231621 -0.160160 -1.622109
H 1.666549 -1.702088 -2.333611
H 4.063393 -1.888614 -2.755528
H 4.470255 -1.055002 -1.226125
H -0.060542 -0.122215 -1.001470
H 1.906342 0.942549 0.687852
H 0.420986 1.497253 1.494715
H -3.466481 -0.581359 1.907343
H -1.294071 -0.968532 1.478185
H -5.338647 -1.150517 0.573502
H -4.198916 -0.904803 -0.781589
H -0.387059 2.313090 -0.823549
H -6.595580 0.604554 -0.541361
H -5.118512 1.314913 -1.256382
H -4.009622 1.887366 2.407422
H 0.777231 4.246110 0.743463
H 4.725683 -2.976251 2.970989
H 2.927899 3.251491 -2.747719


