%chk=000088572.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088572

0 1
 O   -1.140800       1.215100     -0.3149000    
 O   -5.181000     -9.8600000E-02   1.442300    
 N   -3.275400      0.4106000     -0.5875000    
 N   -1.367900      -1.034900     -0.3418000    
 C   9.4200000E-02  0.6628000     -0.1564000    
 C  -5.2900001E-02 -0.6982000     -0.1736000    
 C   -1.961900      0.1344000     -0.4189000    
 C   -4.298400     -0.6424000     -0.7243000    
 C    1.180400       1.589200     -1.8300001E-02
 C    1.007100      -1.657600     -3.6800001E-02
 C   -3.795400       1.788900     -0.6554000    
 C   -4.688800      -1.169100      0.6462000    
 C    2.462000       1.246600     -0.4625000    
 C   0.9674000       2.843700      0.5630000    
 C    1.368400      -2.122200       1.227900    
 C    1.675000      -2.125100      -1.168600    
 C    3.518200       2.147800     -0.3269000    
 C    2.023300       3.745000      0.6986000    
 C    2.397800      -3.054100       1.360800    
 C    2.704300      -3.057200      -1.035600    
 C    3.298800       3.396900      0.2537000    
 C    3.065700      -3.521600      0.2291000    
 H   -3.912800      -1.461900      -1.342700    
 H   -5.181800     -0.2513000      -1.243300    
 H   -3.415000       2.286900      -1.553500    
 H   -3.478700       2.357600      0.2258000    
 H   -4.889200       1.822600     -0.6898000    
 H   -3.832800      -1.609200       1.167000    
 H   -5.468100      -1.933000      0.5644000    
 H    2.676700      0.3045000     -0.9502000    
 H  -1.4600000E-02   3.139300      0.9255000    
 H   0.8574000      -1.767800       2.120100    
 H    1.404300      -1.775000      -2.162000    
 H    4.509900       1.880300     -0.6801000    
 H    1.853200       4.717300       1.151800    
 H    2.679200      -3.415700       2.345400    
 H    3.224200      -3.421400      -1.916800    
 H    4.120700       4.099100      0.3579000    
 H    3.867200      -4.247200      0.3325000    
 H   -5.965700      0.2618000      0.9950000    


%chk=000088572-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088572

0 1
O -1.092791 1.374842 -0.188680
O -5.575653 -0.375555 1.083425
N -3.249551 0.516462 -0.726601
N -1.280921 -0.893588 -0.510619
C 0.228496 0.797537 -0.043777
C 0.078746 -0.581360 -0.221063
C -1.923721 0.278109 -0.484202
C -4.116261 -0.656194 -0.944173
C 1.303290 1.767127 0.155373
C 1.045889 -1.688710 -0.092651
C -3.841986 1.846879 -0.504943
C -4.665737 -1.277400 0.356384
C 2.641949 1.491062 -0.250243
C 1.016810 3.042307 0.725794
C 2.171756 -1.620750 0.773674
C 0.812663 -2.891970 -0.814151
C 3.658975 2.448941 -0.065482
C 2.037954 3.998198 0.901623
C 3.054092 -2.715155 0.890463
C 1.698650 -3.983358 -0.698779
C 3.366995 3.707056 0.514082
C 2.827464 -3.899769 0.149975
H -3.521811 -1.422705 -1.473597
H -4.951839 -0.345437 -1.602755
H -3.078879 2.623806 -0.667501
H -4.253973 1.943329 0.516637
H -4.660542 1.998294 -1.231342
H -3.838114 -1.474055 1.055472
H -5.165049 -2.241694 0.119479
H 2.878245 0.535863 -0.729149
H -0.009680 3.271736 1.028486
H 2.342380 -0.721699 1.374881
H -0.073557 -2.953373 -1.453317
H 4.680548 2.218062 -0.388022
H 1.797125 4.971198 1.344640
H 3.912391 -2.647903 1.568566
H 1.507346 -4.900819 -1.266952
H 4.160209 4.449788 0.653130
H 3.514685 -4.748298 0.241944
H -6.402395 -0.253904 0.551068


