%chk=000001958.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001958

0 1
 I   -2.375600      -3.468000     -0.4547000    
 O    2.140100       1.557900      -1.840700    
 O    4.420000     -0.4660000      -1.340100    
 N  -9.8000001E-03 -3.3399999E-02  0.1126000    
 N    4.505200     -0.5573000       1.733900    
 N   -1.404500       1.919400      0.3471000    
 N   -3.781000       1.411800      0.1980000    
 N   -4.621300     -0.7809000     -0.1426000    
 C    1.297100      0.6123000      0.2470000    
 C    2.189900      0.4184000     -0.9943000    
 C    2.125800      0.1113000       1.449800    
 C    3.358000     -0.5600000      0.8372000    
 C    3.600300      0.2514000     -0.4320000    
 C   -1.222400      0.6000000      0.1643000    
 C  -0.2016000      -1.376100     -8.5500002E-02
 C   -2.213500     -0.3591000     -4.8000002E-03
 C   -1.558600      -1.607300     -0.1623000    
 C   -3.531700      9.4099998E-02  1.7600000E-02
 C   -2.716400       2.231500      0.3495000    
 H    1.098500       1.681700      0.3934000    
 H    1.905600     -0.4487000      -1.601200    
 H    2.421900      0.9793000       2.054100    
 H    1.579200     -0.5691000       2.111700    
 H    3.127000      -1.602800      0.5862000    
 H    4.070600       1.222100     -0.2345000    
 H    4.739000      0.3996000       1.996400    
 H    5.321400     -0.9192000       1.242000    
 H   0.6391000      -2.054800     -0.1522000    
 H    1.215700       1.670900      -2.121000    
 H    4.006800      -1.329500      -1.510200    
 H   -2.950000       3.281000      0.4920000    
 H   -5.560100     -0.4067000     -0.1199000    
 H   -4.469500      -1.770600     -0.2799000    


%chk=000001958-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000001958

0 1
I -3.197143 -2.967238 2.007483
O 1.523906 2.127082 -0.905954
O 4.245057 0.903057 -1.512218
N -0.048519 -0.304283 0.647799
N 4.901312 -0.865470 1.078817
N -1.019522 1.378852 -0.879947
N -3.409334 1.128923 -1.283333
N -4.718021 -0.543979 -0.315988
C 1.352926 0.197696 0.748350
C 1.921448 0.777250 -0.585509
C 2.380689 -0.903917 1.163647
C 3.670676 -0.658179 0.306053
C 3.432123 0.739160 -0.314624
C -1.096953 0.283919 -0.058669
C -0.579676 -1.374464 1.391784
C -2.307129 -0.440089 0.216855
C -1.946016 -1.482833 1.142533
C -3.483586 0.034435 -0.452468
C -2.203604 1.737439 -1.447858
H 1.355113 1.026256 1.485609
H 1.682685 0.068102 -1.412188
H 2.623198 -0.844986 2.238991
H 1.996134 -1.919702 0.970426
H 3.693789 -1.371549 -0.539155
H 3.664563 1.538655 0.427320
H 5.013950 -0.203175 1.856159
H 5.741714 -0.895648 0.491990
H 0.046813 -1.972049 2.047083
H 0.503925 2.082556 -1.034184
H 3.950088 1.738056 -1.959398
H -2.185593 2.608567 -2.108349
H -5.493783 -0.130374 -0.831116
H -4.866030 -1.358872 0.276959


