%chk=000096725.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096725

0 1
 O   0.7379000      0.6514000     -0.1498000    
 O    4.408500      -1.253400      1.1700000E-02
 O    3.342700      0.9663000      -1.279100    
 O  -0.3542000      -1.387500     -0.4645000    
 O    1.969100      -2.746300      0.4433000    
 O   0.3399000       3.296400      0.4711000    
 N   -5.491600      0.6157000      0.2563000    
 C    3.198500     -0.6737000      0.4917000    
 C    3.145100      0.8105000      0.1276000    
 C    2.009400      -1.427900     -0.1025000    
 C    1.777100       1.388200      0.5067000    
 C   0.6951000     -0.7214000      0.2372000    
 C    1.629800       2.848300      9.4800003E-02
 C   -1.617700     -0.8947000     -0.2873000    
 C   -2.174900     -0.8645000      0.9875000    
 C   -2.336800     -0.4275000      -1.383100    
 C   -3.463700     -0.3622000       1.168100    
 C   -3.625500      7.4800000E-02  -1.202600    
 C   -4.188800      0.1074000      7.3100001E-02
 H    3.202500     -0.7849000       1.583300    
 H    3.957600       1.351300      0.6243000    
 H    2.128900      -1.539900      -1.186900    
 H    1.612000       1.309200       1.589300    
 H   0.5136000     -0.7968000       1.317400    
 H    1.717100       2.980300     -0.9883000    
 H    2.376500       3.477300      0.5882000    
 H    4.393000      -2.196900      0.2468000    
 H    2.556300      0.6255000      -1.737700    
 H    1.190200      -3.192400      6.8800002E-02
 H  -0.3107000       2.720900      3.3700000E-02
 H   -1.632800      -1.242400       1.849400    
 H   -1.901400     -0.4503000      -2.378200    
 H   -3.893300     -0.3456000       2.166500    
 H   -4.180300      0.4383000      -2.063800    
 H   -5.900700      0.6389000       1.180900    
 H   -6.018500      0.9558000     -0.5372000    


%chk=000096725-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096725

0 1
O 0.882599 0.748355 -0.430550
O 4.425986 -1.341801 0.472500
O 3.561229 0.732869 -1.445577
O -0.339573 -1.288119 -0.468141
O 1.908964 -2.630865 0.880720
O 0.546714 3.521168 -0.037684
N -5.707245 0.334056 0.360831
C 3.184110 -0.609119 0.659099
C 3.293347 0.785471 -0.006943
C 1.982881 -1.392747 0.096814
C 1.962675 1.529870 0.258784
C 0.691778 -0.567164 0.226335
C 1.862109 2.942278 -0.322268
C -1.685659 -0.840838 -0.231591
C -2.477425 -1.514221 0.721322
C -2.225234 0.215431 -0.995597
C -3.817225 -1.125458 0.920546
C -3.563338 0.607350 -0.798239
C -4.381077 -0.054540 0.165899
H 2.992502 -0.450386 1.747245
H 4.155028 1.324681 0.422301
H 2.143289 -1.621275 -0.977147
H 1.736780 1.564762 1.346064
H 0.414652 -0.396881 1.291705
H 2.073089 2.917523 -1.409862
H 2.594940 3.605691 0.166646
H 4.266079 -2.269499 0.788822
H 2.715418 0.464748 -1.894952
H 1.207596 -3.207717 0.485141
H -0.132118 2.856588 -0.327846
H -2.047771 -2.342157 1.295624
H -1.597473 0.709728 -1.743106
H -4.432584 -1.652003 1.659808
H -3.982749 1.426429 -1.394675
H -6.292964 -0.133918 1.045699
H -6.109430 1.099911 -0.171026


