%chk=000048446.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048446

0 1
 O   0.6496000       2.433100      8.6700000E-02
 O   0.4223000      -2.323900     -0.3997000    
 O    4.390600     -0.1902000      0.4360000    
 N    2.504800       1.101300      0.2191000    
 N    2.393500      -1.227300     -1.9900000E-02
 C   0.3604000      9.3400002E-02 -0.4537000    
 C  -0.9884000      8.4100001E-02  0.2776000    
 C   0.1254000      0.2516000      -1.932300    
 C    1.156700       1.314100     -1.3700000E-02
 C    1.033500      -1.260700     -0.2774000    
 C   -2.200600      0.1208000     -0.3089000    
 C   -3.559600      0.1142000      0.3490000    
 C  -0.8738000      2.7899999E-02   1.778800    
 C   -4.037500      -1.325100      0.5458000    
 C   -4.557300      0.8968000     -0.5059000    
 C    3.180200     -0.1101000      0.2185000    
 H    1.082500      0.3002000      -2.470800    
 H  -0.4155000     -0.5922000      -2.379500    
 H  -0.4007000       1.180400      -2.188400    
 H   -3.514800      0.6127000       1.323700    
 H   -2.262700      0.1243000      -1.394000    
 H   -1.799100     -0.2629000       2.281700    
 H  -0.5729000       1.001800       2.177900    
 H  -0.1263000     -0.7105000       2.087700    
 H    3.056900       1.923100      0.4486000    
 H    2.863400      -2.126900      3.3000000E-02
 H   -3.347000      -1.891900       1.179500    
 H   -5.020400      -1.341900       1.029100    
 H   -4.125100      -1.853400     -0.4105000    
 H   -4.692700      0.4402000      -1.493000    
 H   -4.221900       1.929500     -0.6544000    
 H   -5.537400      0.9324000     -1.7899999E-02


%chk=000048446-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048446

0 1
O 0.546141 2.408597 -0.896735
O 0.842407 -2.443735 -0.513191
O 4.090575 0.346950 1.280514
N 2.256716 1.339106 0.223262
N 2.410501 -1.012458 0.389553
C 0.333867 -0.038111 -0.677427
C -0.929332 -0.043789 0.242846
C 0.022824 -0.173208 -2.194312
C 1.033012 1.329734 -0.476977
C 1.194598 -1.261088 -0.278790
C -2.179869 -0.074513 -0.291199
C -3.512822 -0.074751 0.436920
C -0.625339 -0.001014 1.731957
C -4.323135 -1.344202 0.059490
C -4.308826 1.211239 0.082612
C 2.994183 0.232811 0.678691
H 0.959946 -0.179741 -2.779011
H -0.507797 -1.119140 -2.384901
H -0.582303 0.683218 -2.530726
H -3.351522 -0.086491 1.531339
H -2.285751 -0.099511 -1.384637
H -1.544748 0.034152 2.335496
H -0.022978 0.888646 2.001135
H -0.054482 -0.892962 2.056446
H 2.690097 2.254996 0.382780
H 2.954628 -1.832992 0.677326
H -3.776932 -2.264471 0.332988
H -5.299577 -1.350128 0.578573
H -4.518471 -1.375024 -1.029503
H -4.497659 1.267244 -1.006369
H -3.754043 2.119637 0.377433
H -5.287809 1.215899 0.597115


