%chk=000073061.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073061

0 1
 O    4.728800      0.2470000       1.114100    
 O    2.294800      -2.638600     -0.8391000    
 O    4.202400      -2.464400      0.4522000    
 O   -5.037400       1.052400     -0.5394000    
 N   0.3848000       2.298000      0.7110000    
 N   -1.179900      -1.116200      0.9340000    
 C    2.035500      0.1430000     -0.4703000    
 C    2.075700       1.587700      -1.009800    
 C    1.624000      0.1394000       1.013200    
 C   0.3327000      0.9263000       1.288900    
 C    3.375400     -0.5628000     -0.7758000    
 C   0.7553000       2.313500     -0.7121000    
 C    3.298400       2.364000     -0.4900000    
 C    4.624200      0.1988000     -0.3052000    
 C    4.605800       1.639000     -0.8231000    
 C  -0.9334000      0.2265000      0.8875000    
 C  -0.8940000       3.017000      0.9389000    
 C   -2.084900      0.8624000      0.4694000    
 C   -2.143800       2.344200      0.3170000    
 C    3.365100      -1.987000     -0.3016000    
 C   -3.064600     -0.1367000      0.2220000    
 C   -2.471400      -1.367800      0.5208000    
 C   -4.400200     -0.1193000     -0.2273000    
 C   -3.153600      -2.583200      0.3934000    
 C   -5.092500      -1.328200     -0.3607000    
 C   -4.477000      -2.539900     -5.4099999E-02
 C    2.162700      -4.014500     -0.4679000    
 C   -4.932800       1.499400      -1.886100    
 H    1.243600     -0.3828000      -1.022600    
 H    2.171000       1.534400      -2.104100    
 H    2.412400      0.5935000       1.622300    
 H    1.527600     -0.8904000       1.375500    
 H   0.2765000       1.044400       2.381000    
 H    3.464300     -0.6284000      -1.871500    
 H   0.8445000       3.353800      -1.050000    
 H  -2.5200000E-02   1.854400      -1.331700    
 H    3.232200       2.523900      0.5923000    
 H    3.321700       3.360300     -0.9482000    
 H    5.524300     -0.3088000     -0.6722000    
 H    4.742600       1.633500      -1.911600    
 H    5.439900       2.207200     -0.3946000    
 H  -0.8155000       4.049500      0.5764000    
 H   -1.042300       3.101400       2.024200    
 H   -2.199700       2.592900     -0.7489000    
 H   -3.045000       2.741800      0.7968000    
 H  -0.5218000      -1.826000       1.224300    
 H    5.557000      0.7059000       1.335000    
 H   -2.675800      -3.527600      0.6314000    
 H   -6.123500      -1.327800     -0.7063000    
 H   -5.033600      -3.467200     -0.1643000    
 H    1.274600      -4.416100     -0.9631000    
 H    2.030900      -4.102600      0.6147000    
 H    3.037300      -4.582200     -0.7993000    
 H   -5.338600       2.513000      -1.944700    
 H   -5.518600      0.8499000      -2.544100    
 H   -3.890200       1.520500      -2.218700    


%chk=000073061-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000073061

0 1
O 4.713799 0.092357 1.202242
O 2.177272 -2.635093 -0.077362
O 4.490937 -2.759213 -0.195667
O -4.798202 1.281147 -0.810003
N 0.492405 2.384442 0.706394
N -1.023566 -1.063092 0.642704
C 2.086133 0.163892 -0.417174
C 2.181377 1.607760 -1.001012
C 1.721700 0.233648 1.084680
C 0.408994 1.012557 1.305878
C 3.393947 -0.611497 -0.733864
C 0.855654 2.358356 -0.736763
C 3.435709 2.350556 -0.480596
C 4.686097 0.114004 -0.280444
C 4.723658 1.563283 -0.812549
C -0.836815 0.322796 0.776899
C -0.778637 3.126315 0.956597
C -1.981065 0.990948 0.337149
C -2.052435 2.501367 0.289504
C 3.447471 -2.075063 -0.292970
C -2.918273 -0.026027 -0.096842
C -2.291876 -1.307531 0.102905
C -4.235229 0.000782 -0.637796
C -2.926755 -2.531112 -0.215546
C -4.883602 -1.210671 -0.961140
C -4.226380 -2.459184 -0.749159
C 2.181561 -4.084121 0.253775
C -6.151694 1.346361 -1.361217
H 1.260806 -0.355876 -0.944553
H 2.278714 1.521456 -2.107030
H 2.527225 0.727894 1.648662
H 1.627298 -0.783859 1.506548
H 0.297326 1.164903 2.400586
H 3.462316 -0.659067 -1.845638
H 0.945824 3.409840 -1.073983
H 0.060489 1.876470 -1.357075
H 3.355631 2.506670 0.609398
H 3.486046 3.355318 -0.943795
H 5.554748 -0.456329 -0.666643
H 4.864383 1.525584 -1.913850
H 5.612066 2.074884 -0.394092
H -0.647436 4.169313 0.611689
H -0.921215 3.155408 2.054190
H -2.148755 2.836688 -0.762636
H -2.956542 2.877315 0.804562
H -0.294518 -1.759845 0.789720
H 5.654758 0.052330 1.502275
H -2.434449 -3.495981 -0.053919
H -5.895807 -1.212056 -1.376039
H -4.756268 -3.382374 -1.009629
H 1.120574 -4.371863 0.281840
H 2.666215 -4.247446 1.230785
H 2.726964 -4.650874 -0.518571
H -6.392024 2.418856 -1.413274
H -6.880194 0.831487 -0.704439
H -6.195661 0.903588 -2.375812


