%chk=000094942.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094942

0 1
 O  -0.1918000      0.7526000     -0.3921000    
 N   -2.953900      0.3903000      7.0400000E-02
 C   0.6352000      -1.982500     -0.3725000    
 C   -2.299800       1.679600      0.2908000    
 C    1.586100     -0.8443000     -0.1992000    
 C  -0.8399000       1.466400      0.6532000    
 C    1.137900      0.4725000     -0.2164000    
 C   -4.352100      0.5853000     -0.3118000    
 C   -2.863200     -0.4408000       1.270300    
 C    2.943300      -1.111100     -1.8500000E-02
 C   0.5884000      -2.901500      0.8621000    
 C   0.9377000      -2.813600      -1.632900    
 C    2.032500       1.525600     -5.4600000E-02
 C    3.389700       1.258900      0.1261000    
 C    3.845000     -5.9500001E-02  0.1442000    
 C   -4.465500       1.447200      -1.557700    
 C   -3.484200      -1.808000       1.039500    
 C    4.354500       2.382900      0.2991000    
 H  -0.3845000      -1.601900     -0.5041000    
 H   -2.798600       2.263400       1.074300    
 H   -2.297100       2.273600     -0.6289000    
 H  -0.6862000      0.9812000       1.622900    
 H  -0.3914000       2.464100      0.7422000    
 H   -4.817700     -0.3713000     -0.5707000    
 H   -4.940900       1.032000      0.4992000    
 H   -1.824100     -0.6555000       1.532400    
 H   -3.331500      3.8400002E-02   2.139200    
 H    3.321800      -2.129400     -1.3000000E-03
 H    1.540800      -3.416100       1.028300    
 H  -0.1865000      -3.666300      0.7413000    
 H   0.3544000      -2.327100       1.765400    
 H   0.9523000      -2.176600      -2.524400    
 H   0.1690000      -3.580100      -1.780500    
 H    1.905500      -3.322200      -1.567600    
 H    1.689200       2.556000     -8.8600002E-02
 H    4.900200     -0.2802000      0.2821000    
 H   -4.286200       2.507200      -1.352400    
 H   -3.783300       1.114300      -2.347600    
 H   -5.483400       1.378000      -1.958100    
 H   -4.577900      -1.774900       1.026000    
 H   -3.129100      -2.263100      0.1083000    
 H   -3.203600      -2.481300       1.857600    
 H    5.222200       2.073500      0.8917000    
 H    4.704500       2.731200     -0.6777000    
 H    3.889800       3.222700      0.8268000    


%chk=000094942-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094942

0 1
O -0.262001 0.538486 -0.401544
N -3.118192 0.721578 0.726625
C 0.667271 -1.842262 -1.621701
C -2.345665 1.714268 -0.053907
C 1.584165 -0.947218 -0.783117
C -0.847364 1.704682 0.272893
C 1.097151 0.248204 -0.173987
C -4.188083 0.048000 -0.052338
C -3.561729 1.247239 2.042826
C 2.947697 -1.258650 -0.588500
C 0.642445 -3.299831 -1.092265
C 1.073440 -1.805068 -3.120307
C 1.946859 1.076221 0.598140
C 3.312841 0.742157 0.783662
C 3.805840 -0.436985 0.179210
C -3.634291 -0.995269 -1.042003
C -3.801927 0.142101 3.089325
C 4.215028 1.643582 1.611292
H -0.355921 -1.435623 -1.537809
H -2.729053 2.753368 0.103463
H -2.450859 1.499184 -1.132194
H -0.683609 1.632244 1.367438
H -0.362532 2.631441 -0.103712
H -4.853741 -0.466804 0.663869
H -4.827978 0.787555 -0.599527
H -2.763149 1.914626 2.420917
H -4.479957 1.883484 1.945398
H 3.350813 -2.170912 -1.044921
H 1.637609 -3.777190 -1.169594
H -0.068529 -3.910762 -1.679912
H 0.332363 -3.331592 -0.032271
H 1.052081 -0.771971 -3.511766
H 0.381630 -2.420308 -3.726295
H 2.096604 -2.200771 -3.265546
H 1.561945 1.991175 1.061239
H 4.858313 -0.714359 0.309103
H -2.953737 -0.537492 -1.782101
H -3.061999 -1.765200 -0.496262
H -4.460717 -1.482104 -1.593559
H -4.622286 -0.536962 2.794886
H -2.887729 -0.463603 3.214154
H -4.072612 0.587180 4.065140
H 5.229726 1.219402 1.702409
H 4.310915 2.647670 1.155386
H 3.816525 1.786689 2.633561


