%chk=000047194.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047194

0 1
 O  -0.4993000      -1.927600      0.5540000    
 N   -1.388100      0.7737000     -0.1187000    
 N   -1.587000     -0.3081000      -2.255300    
 C  -3.6300000E-02  -1.174300     -0.5558000    
 C    1.275400     -0.5011000     -0.2186000    
 C   -1.089900     -0.1442000     -0.9812000    
 C   -2.378200       1.763300     -0.5215000    
 C    2.215400     -0.3128000      -1.217600    
 C    1.508800     -8.6800002E-02   1.081800    
 C   -2.601900       2.760500      0.6084000    
 C   -1.733400      -2.574800      0.2699000    
 C    3.425200      0.3082000     -0.9069000    
 C    2.718500      0.5344000       1.392300    
 C   -1.334500       3.515900      0.9823000    
 C    3.676600      0.7318000      0.3980000    
 C   -2.171300      -3.358200       1.488900    
 H   0.1442000      -1.881600      -1.376500    
 H   -3.334500       1.276800     -0.7487000    
 H   -2.043500       2.304000      -1.415300    
 H    2.027800     -0.6368000      -2.237200    
 H   0.7736000     -0.2207000       1.869700    
 H   -3.372300       3.479000      0.3059000    
 H   -2.977700       2.237300       1.495700    
 H   -2.523000      -1.853200      3.8800001E-02
 H   -1.609600      -3.255500     -0.5799000    
 H    4.170900      0.4628000      -1.681200    
 H    2.913500      0.8668000       2.407700    
 H   -1.277600      -1.064900      -2.856100    
 H   -2.283400      0.3185000      -2.643100    
 H   -1.554000       4.257400       1.757100    
 H  -0.5656000       2.842600       1.373700    
 H  -0.9226000       4.043300      0.1160000    
 H    4.618100       1.216300      0.6397000    
 H   -3.117300      -3.874700       1.303800    
 H   -1.412900      -4.098800       1.763900    
 H   -2.294100      -2.693700       2.350700    


%chk=000047194-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047194

0 1
O 0.314673 -0.950271 1.823404
N -1.632635 0.875418 -0.617895
N -0.182784 1.665736 1.161391
C -0.042634 -0.673098 0.423906
C 1.227551 -0.773091 -0.427848
C -0.704267 0.713275 0.293347
C -2.203247 2.230875 -0.814790
C 1.139968 -0.545059 -1.824888
C 2.477022 -1.105090 0.146953
C -3.317532 2.184632 -1.880302
C -0.859146 -1.279421 2.658049
C 2.291171 -0.647731 -2.635436
C 3.629417 -1.203609 -0.667702
C -4.511833 1.313773 -1.440461
C 3.541617 -0.976723 -2.059826
C -0.353292 -1.541977 4.075393
H -0.790712 -1.408009 0.061407
H -1.413034 2.947605 -1.140180
H -2.630788 2.631854 0.136869
H 0.170369 -0.278317 -2.261573
H 2.531384 -1.291876 1.222831
H -3.655959 3.217875 -2.097394
H -2.885279 1.776831 -2.814104
H -1.581964 -0.436558 2.637724
H -1.361090 -2.176765 2.237973
H 2.213505 -0.472495 -3.714655
H 4.593712 -1.461478 -0.214451
H 0.510010 1.365154 1.847011
H -0.476213 2.637883 1.127515
H -5.274311 1.239642 -2.237343
H -4.158976 0.296519 -1.196201
H -5.000513 1.733637 -0.539824
H 4.434870 -1.056935 -2.689935
H -1.195055 -1.811686 4.738883
H 0.375192 -2.370988 4.079121
H 0.140803 -0.644732 4.487732


