%chk=000100314.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100314

0 1
 O    4.857100      -1.160100      0.7130000    
 O    5.266200       1.037300      0.2658000    
 O    3.165400      -2.107000      -1.674000    
 O    2.433300      -3.151800      0.2109000    
 O   -6.649400      -1.023800       1.138300    
 O   -4.696400      -1.991900      0.5122000    
 N    2.851900       1.653700       1.424900    
 C    2.180200      0.2706000     -0.4257000    
 C    1.301600       1.536800     -0.3320000    
 C    3.038800      0.3149000      0.8490000    
 C    1.453400       1.979200       1.120000    
 C    1.425300      -1.055600     -0.5185000    
 C  -0.1212000       1.412600     -0.7632000    
 C    4.497000      0.1393000      0.5748000    
 C  -0.3460000       1.717800      -2.222100    
 C    2.368100      -2.223900     -0.5813000    
 C   -1.160400       1.065000      2.0800000E-02
 C   -2.549700      0.9361000     -0.3680000    
 C   -3.515100      0.5813000      0.4964000    
 C   -4.987200      0.4146000      0.1984000    
 C   -5.415700      0.6472000      -1.249300    
 C   -5.397100     -0.9925000      0.6097000    
 H    2.813300      0.3776000      -1.317800    
 H    1.780600       2.320500     -0.9399000    
 H    2.718900     -0.4136000       1.604400    
 H   0.8252000       1.438700       1.833600    
 H    1.264400       3.050400       1.247400    
 H    3.443300       2.319900      0.9251000    
 H   0.7765000      -1.200700      0.3535000    
 H   0.7888000      -1.099900      -1.409500    
 H   0.5270000       1.412300      -2.811400    
 H   -1.189600       1.185400      -2.667100    
 H  -0.4857000       2.794100      -2.365600    
 H  -0.9756000      0.8247000       1.064200    
 H    5.811700      -1.297000      0.5340000    
 H   -2.819100       1.144500      -1.395400    
 H    3.798100      -2.853100      -1.746500    
 H   -3.238600      0.3950000       1.534500    
 H   -5.520500       1.124000      0.8443000    
 H   -5.185700       1.668000      -1.572500    
 H   -4.924900     -5.4000001E-02  -1.934000    
 H   -6.496200      0.5005000      -1.359500    
 H   -6.906800      -1.929500       1.413600    


%chk=000100314-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100314

0 1
O 5.066279 1.001874 -0.996261
O 4.701921 2.479214 0.759225
O 2.400051 -2.705536 -2.001873
O 3.633867 -3.025717 -0.060839
O -7.317800 -0.142931 0.480683
O -5.552601 -0.791061 1.835930
N 2.763515 0.718030 1.932472
C 2.326126 0.014256 -0.304531
C 1.293669 1.140259 0.061932
C 3.474710 0.313156 0.707141
C 1.381622 1.183874 1.612018
C 1.752000 -1.416571 -0.072689
C -0.071706 1.003812 -0.597854
C 4.440184 1.393727 0.194689
C -0.021815 0.965134 -2.117065
C 2.685139 -2.457201 -0.646248
C -1.237242 0.964536 0.127813
C -2.598741 0.863944 -0.397556
C -3.703743 0.843097 0.405449
C -5.144403 0.774696 -0.067719
C -5.334539 0.378513 -1.556127
C -5.961898 -0.136696 0.853560
H 2.678319 0.106321 -1.345216
H 1.744675 2.083283 -0.322823
H 4.087553 -0.598322 0.863518
H 0.638422 0.504817 2.073634
H 1.190113 2.203466 1.996245
H 3.302470 1.340927 2.542088
H 1.645275 -1.598374 1.009410
H 0.763912 -1.500334 -0.554383
H 0.454132 0.033195 -2.481903
H -1.016701 1.033613 -2.583670
H 0.589581 1.803687 -2.505303
H -1.171441 1.015838 1.223395
H 5.730748 1.692464 -1.267145
H -2.727336 0.796501 -1.485003
H 3.061445 -3.359270 -2.358639
H -3.570531 0.884805 1.495955
H -5.605111 1.781222 0.059459
H -4.854593 1.124540 -2.213184
H -4.882322 -0.607709 -1.761429
H -6.406081 0.335874 -1.807401
H -7.821923 -0.731354 1.105748


