%chk=000103246.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103246

0 1
 O   -4.453300       1.376700     -0.5602000    
 O   -4.464400      -1.208800     -0.8059000    
 O    1.477000       2.207100       1.389700    
 O    1.461400      -2.438700      0.9499000    
 N    1.547900     -0.1131000       1.125400    
 C   -1.139000     -2.6699999E-02  0.3338000    
 C  -0.4845000       1.172000      0.6501000    
 C  -0.4954000      -1.269300      0.4184000    
 C   -2.493500      1.8400000E-02 -8.1400000E-02
 C   0.9295000       1.149500       1.085900    
 C   0.9180000      -1.340700      0.8495000    
 C    2.961900     -0.1534000       1.482600    
 C   -3.150500       1.255000     -0.1684000    
 C   -3.160800      -1.174000     -0.3995000    
 C   -1.154600       2.398600      0.5589000    
 C   -1.175600      -2.451000      9.8099999E-02
 C   -2.484500       2.436500      0.1501000    
 C   -2.505200      -2.399900     -0.3099000    
 C    3.849400     -4.3099999E-02  0.2767000    
 C    4.249900      -1.195100     -0.3899000    
 C    4.261400       1.210100     -0.1616000    
 C    5.074300      -1.092800      -1.510400    
 C    5.085600       1.312400      -1.282300    
 C   -4.693900       1.547900      -1.953900    
 C   -5.453400      -1.338300      0.2112000    
 C    5.492100      0.1609000      -1.956700    
 H    3.183100      -1.083000       2.022200    
 H    3.190600      0.6567000       2.186600    
 H  -0.6583000       3.334500      0.8011000    
 H  -0.6869000      -3.419700      0.1589000    
 H   -2.995700       3.393400      8.3400004E-02
 H   -3.023600      -3.322600     -0.5576000    
 H    3.939800      -2.179000     -5.1100001E-02
 H    3.960100       2.115500      0.3565000    
 H    5.392300      -1.989300      -2.034500    
 H    5.412500       2.288400      -1.628800    
 H   -4.102200      0.8523000      -2.557900    
 H   -5.754600       1.363000      -2.144600    
 H   -4.461500       2.576800      -2.245700    
 H   -5.259100     -0.6694000       1.055900    
 H   -5.488200      -2.373900      0.5635000    
 H   -6.425400      -1.084500     -0.2206000    
 H    6.134600      0.2406000      -2.828600    


%chk=000103246-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103246

0 1
O -4.537307 1.534146 -0.620466
O -4.643758 -1.339400 -0.709367
O 1.555822 2.126191 1.440844
O 1.545315 -2.491021 0.742999
N 1.544906 -0.180232 1.076985
C -1.216368 -0.056240 0.299426
C -0.513463 1.136102 0.672303
C -0.526166 -1.312265 0.325646
C -2.612776 0.007893 -0.098374
C 0.912629 1.090793 1.086720
C 0.905113 -1.395607 0.716457
C 2.991391 -0.241484 1.464846
C -3.215164 1.321122 -0.187627
C -3.281027 -1.247261 -0.370510
C -1.166244 2.377454 0.648993
C -1.196629 -2.493492 -0.025200
C -2.507614 2.466410 0.208625
C -2.570938 -2.457792 -0.358228
C 3.932731 -0.056982 0.278388
C 4.401803 -1.182022 -0.447141
C 4.359183 1.241215 -0.103267
C 5.282036 -1.010940 -1.539212
C 5.238870 1.411329 -1.195683
C -4.785461 1.350697 -2.071249
C -5.611107 -1.094525 0.387630
C 5.703294 0.285843 -1.916047
H 3.141607 -1.228240 1.930467
H 3.141626 0.557689 2.207962
H -0.604701 3.267685 0.948875
H -0.639218 -3.435169 -0.006425
H -3.020240 3.430411 0.143657
H -3.120455 -3.373227 -0.595544
H 4.063174 -2.183104 -0.156710
H 3.987759 2.108723 0.453961
H 5.640686 -1.886012 -2.093095
H 5.564220 2.417858 -1.482467
H -4.624154 0.300100 -2.366166
H -5.840978 1.624688 -2.217471
H -4.134482 2.032465 -2.650423
H -5.561278 -0.045652 0.725184
H -5.415083 -1.793327 1.222677
H -6.598339 -1.302658 -0.051383
H 6.388083 0.417839 -2.761689


