%chk=000031802.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031802

0 1
 I    3.736100       2.760300      0.1586000    
 I    2.940400      -3.260800     -0.4417000    
 O   -3.608400      -1.107300      9.4300002E-02
 O   -4.323400       1.059000     -0.2412000    
 O    4.384000     -0.3672000     -0.3580000    
 N   -1.857600       1.886600     -0.8780000    
 C   -1.112800      0.2460000      0.7828000    
 C   -1.965500      0.4845000     -0.4707000    
 C   0.3575000      8.2099997E-02  0.4771000    
 C   0.8600000      -1.183300      0.2212000    
 C    1.175400       1.200000      0.4593000    
 C   -3.434800      0.2181000     -0.1905000    
 C    2.533300       1.048600      0.1782000    
 C    2.217900      -1.334800     -6.0100000E-02
 C    3.054500     -0.2190000     -8.1600003E-02
 C   -4.956600      -1.512900      0.3502000    
 H   -1.453000     -0.6515000       1.316900    
 H   -1.253700       1.057800       1.510900    
 H   -1.659400     -0.1552000      -1.306800    
 H   0.1956000      -2.043700      0.2389000    
 H   0.7590000       2.181900      0.6695000    
 H   -2.411200       2.040000      -1.720600    
 H  -0.8954000       2.098000      -1.137700    
 H   -4.954600      -2.585400      0.5618000    
 H   -5.580600      -1.329700     -0.5296000    
 H   -5.352000     -0.9837000       1.222400    
 H    4.804700      0.5093000     -0.3293000    


%chk=000031802-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031802

0 1
I 3.654758 2.782069 -0.657816
I 3.378992 -3.288276 0.357474
O -3.724413 -1.081119 -0.304896
O -4.269817 1.103231 0.299957
O 4.543043 -0.406747 -0.352833
N -1.737718 1.994428 -0.706611
C -1.093367 0.100306 0.814560
C -1.951084 0.569776 -0.413676
C 0.390581 -0.006029 0.502694
C 1.045958 -1.262315 0.551408
C 1.148397 1.142248 0.155243
C -3.431930 0.265367 -0.108039
C 2.517451 1.016665 -0.132177
C 2.420493 -1.374403 0.263590
C 3.192042 -0.235271 -0.084460
C -5.113192 -1.501518 0.019918
H -1.468360 -0.883374 1.150408
H -1.271603 0.821986 1.635274
H -1.651088 -0.035683 -1.286595
H 0.478719 -2.160095 0.817050
H 0.633529 2.103264 0.084733
H -2.310362 2.602376 -0.107003
H -1.847725 2.236772 -1.696005
H -5.133051 -2.581324 -0.181174
H -5.830984 -0.962739 -0.620601
H -5.337457 -1.286864 1.078109
H 4.967587 0.464971 -0.582231


