%chk=000003164.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003164

0 1
 O    1.105300      -1.565200      1.7000001E-02
 O    2.141500       2.604400       1.408100    
 N   -3.873700     -0.1741000     -0.5614000    
 N    1.918200      0.4285000       2.112400    
 C   -5.173200     -0.3048000      -1.235200    
 C   -4.031400      0.3641000      0.7970000    
 C   -5.885500       1.045600      -1.326500    
 C   -4.706200       1.736500      0.7721000    
 C   -6.047400       1.681600      4.9500000E-02
 C   -3.185000      -1.463900     -0.5239000    
 C   -1.789600      -1.303300      7.6499999E-02
 C   -1.048500      -2.638700      0.1168000    
 C    2.409900      -1.425000      0.5710000    
 C   0.3284000      -2.498500      0.7523000    
 C    2.317800     -0.9631000       2.019000    
 C    3.172400     -0.4260000     -0.2547000    
 C    3.146400      0.9395000      7.2800003E-02
 C    2.368400       1.409000       1.247300    
 C    3.885300     -0.8419000      -1.386800    
 C    3.830600       1.869900     -0.7174000    
 C    4.571400      8.6400002E-02  -2.170400    
 C    4.544700       1.439000      -1.835300    
 H   -5.815200      -1.024200     -0.7099000    
 H   -5.027400     -0.6821000      -2.254700    
 H   -3.070800      0.5394000       1.287200    
 H   -4.609500     -0.3223000       1.429400    
 H   -5.312700       1.720000      -1.975700    
 H   -6.869400      0.9145000      -1.790900    
 H   -4.854500       2.096000       1.796800    
 H   -4.051000       2.460400      0.2708000    
 H   -6.463800       2.690100     -4.8500001E-02
 H   -6.759100       1.094500      0.6427000    
 H   -3.759600      -2.203200      4.9199998E-02
 H   -3.080000      -1.853800      -1.544300    
 H   -1.218700     -0.5685000     -0.5044000    
 H   -1.826100     -0.9507000       1.110900    
 H   -1.632700      -3.380400      0.6738000    
 H  -0.9339000      -3.009600     -0.9091000    
 H    2.919400      -2.396900      0.5364000    
 H   0.8268000      -3.474500      0.7633000    
 H   0.1472000      -2.176400       1.778900    
 H    1.689100      -1.547500       2.689800    
 H    3.324200     -0.9989000       2.458600    
 H    1.386400      0.7200000       2.926700    
 H    3.909000      -1.892300      -1.666000    
 H    3.820400       2.929800     -0.4783000    
 H    5.124100     -0.2452000      -3.044700    
 H    5.078000       2.159700      -2.448600    


%chk=000003164-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003164

0 1
O 1.141982 -1.383032 0.243372
O 2.780922 2.835017 1.340728
N -4.008135 -0.091836 -0.387543
N 2.416849 0.703269 2.188266
C -5.038161 -0.021742 -1.456401
C -4.620731 0.066663 0.955761
C -5.794412 1.321544 -1.416643
C -5.369142 1.410705 1.075302
C -6.440320 1.542510 -0.030211
C -3.176470 -1.315640 -0.501784
C -1.849981 -1.237450 0.280688
C -0.997801 -2.511751 0.085726
C 2.531241 -1.327092 0.741355
C 0.338118 -2.468148 0.834689
C 2.646972 -0.747432 2.169666
C 3.311397 -0.475320 -0.244814
C 3.454931 0.919380 -0.010525
C 2.869003 1.573177 1.208869
C 3.852124 -1.040287 -1.421783
C 4.130924 1.731502 -0.952113
C 4.535853 -0.230665 -2.355279
C 4.674089 1.159400 -2.119974
H -5.781308 -0.860422 -1.360905
H -4.530955 -0.142093 -2.432306
H -3.824862 0.017350 1.719954
H -5.338833 -0.773458 1.167126
H -5.076846 2.138569 -1.624626
H -6.562395 1.335475 -2.214193
H -5.830854 1.485629 2.079064
H -4.635097 2.233886 0.979786
H -6.929640 2.533806 0.018225
H -7.232070 0.781245 0.131712
H -3.746051 -2.230632 -0.180583
H -2.936606 -1.454190 -1.574732
H -1.282023 -0.353587 -0.058746
H -2.045938 -1.101151 1.363356
H -1.562175 -3.400928 0.436747
H -0.788195 -2.664435 -0.991216
H 2.944190 -2.361430 0.764106
H 0.884553 -3.432782 0.728444
H 0.164462 -2.282815 1.918568
H 1.914240 -1.232009 2.839268
H 3.660809 -0.991180 2.556371
H 1.995236 1.138833 3.011154
H 3.728908 -2.113277 -1.609896
H 4.206189 2.803957 -0.744860
H 4.955893 -0.677551 -3.263165
H 5.200119 1.788317 -2.846404


