%chk=000008940.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008940

0 1
 I   -5.062500       1.260000       1.944200    
 O   0.4246000      2.0900000E-02   1.751400    
 O   -5.063900      -1.671600     -4.8999999E-02
 N   -3.250700     -0.3743000     -0.7018000    
 C  -0.3725000     -0.1083000     -0.4574000    
 C   0.8948000      5.7999999E-03  0.3863000    
 C   -1.320500       1.068800     -0.1823000    
 C   -1.089400      -1.440300     -0.1900000    
 C   -2.624600      0.9266000     -0.9654000    
 C   -2.396300      -1.531200     -0.9745000    
 C    1.604900       1.333900      6.9600001E-02
 C    1.874900      -1.174500      0.2697000    
 C   -4.560500     -0.5659000     -0.2636000    
 C    2.171400       1.488600      -1.170100    
 C    2.577200      -1.549300       1.387200    
 C    1.637900       2.301500       1.041600    
 C    2.000800      -1.797900     -0.9459000    
 C   -5.388200      0.6753000     -4.4700000E-02
 C    2.814900       2.692300      -1.457400    
 C    3.465700      -2.619400       1.281700    
 C    2.281200       3.505300      0.7543000    
 C    2.889200      -2.868200      -1.051200    
 C    2.869700       3.700700     -0.4953000    
 C    3.621600      -3.278900      6.2700003E-02
 H  -0.1350000     -7.3500000E-02  -1.529400    
 H  -0.8679000       2.024300     -0.4677000    
 H   -1.566000       1.131000      0.8848000    
 H   -1.341000      -1.540400      0.8725000    
 H  -0.4840000      -2.310100     -0.4560000    
 H   -3.264100       1.773200     -0.7221000    
 H   -2.427400      0.9752000      -2.043300    
 H   -2.197200      -1.545500      -2.052700    
 H   -2.912700      -2.463800     -0.7257000    
 H   0.2225000     -0.8845000       2.040400    
 H    2.129100      0.7336000      -1.945200    
 H    2.495300      -1.040600       2.341900    
 H    1.189900       2.187800       2.022300    
 H    1.455600      -1.503900      -1.834800    
 H   -6.439300      0.3932000     -0.1833000    
 H   -5.205500       1.448200     -0.7925000    
 H    3.269100       2.846700      -2.431800    
 H    4.040500      -2.935800       2.147300    
 H    2.323200       4.291300       1.502600    
 H    3.012500      -3.380800      -2.000800    
 H    3.369400       4.638600     -0.7195000    
 H    4.314600      -4.111000     -1.9800000E-02


%chk=000008940-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000008940

0 1
I -5.146256 1.834044 1.657871
O 0.545389 -0.010719 1.920299
O -5.202615 -1.657004 -0.217087
N -3.334975 -0.364444 -0.749985
C -0.418221 -0.184904 -0.362820
C 0.904437 -0.057203 0.481058
C -1.342698 1.043372 -0.179439
C -1.222396 -1.468646 -0.032139
C -2.634995 0.910455 -1.018113
C -2.491216 -1.570647 -0.906961
C 1.605561 1.284875 0.182761
C 1.894354 -1.224894 0.248007
C -4.666725 -0.514434 -0.396162
C 2.217469 1.497334 -1.078480
C 2.830866 -1.525610 1.272204
C 1.628454 2.325577 1.141767
C 1.950843 -1.970715 -0.956845
C -5.529756 0.736152 -0.243823
C 2.833151 2.731720 -1.379759
C 3.787125 -2.549334 1.102706
C 2.251180 3.559249 0.842454
C 2.908471 -2.996296 -1.129125
C 2.852563 3.769910 -0.419036
C 3.829433 -3.292460 -0.099983
H -0.123367 -0.224272 -1.433581
H -0.824791 1.969547 -0.487482
H -1.600348 1.148539 0.890755
H -1.541863 -1.447291 1.029167
H -0.610957 -2.376807 -0.182582
H -3.298360 1.760372 -0.797652
H -2.376833 0.949703 -2.098976
H -2.203548 -1.672048 -1.975411
H -3.106801 -2.442046 -0.632307
H 0.231405 -0.911819 2.185669
H 2.237135 0.692314 -1.822285
H 2.807547 -0.938376 2.196109
H 1.162939 2.155058 2.115621
H 1.250803 -1.763797 -1.774174
H -6.575896 0.416260 -0.158381
H -5.407221 1.486307 -1.039782
H 3.306360 2.879446 -2.357235
H 4.502479 -2.763867 1.904762
H 2.264785 4.355564 1.595498
H 2.932362 -3.563429 -2.066609
H 3.335206 4.726399 -0.649465
H 4.570823 -4.088036 -0.233728


