%chk=000027225.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027225

0 1
 O    2.253300     -0.1250000      -1.091900    
 O    3.672000       2.138500     -0.3252000    
 N    7.412300     -0.6154000      0.9291000    
 C   -5.046200      6.7000002E-02  0.4905000    
 C   -6.162400     -0.5144000       1.368600    
 C   -5.409300     -3.9799999E-02 -0.9968000    
 C   -3.718000     -0.6327000      0.7730000    
 C   -7.512200      0.1326000       1.066400    
 C   -6.760300      0.6065000      -1.294900    
 C   -7.865600      3.2299999E-02 -0.4142000    
 C   -2.577000      1.5699999E-02 -7.7000000E-03
 C   -1.233700     -0.6934000      0.1863000    
 C  -8.3499998E-02 -3.4299999E-02 -0.5731000    
 C    1.222800     -0.7922000     -0.3764000    
 C    3.524900     -0.2360000     -0.5922000    
 C    4.229200      0.9006000     -0.2108000    
 C    4.098300      -1.497400     -0.4734000    
 C    5.522800      0.7744000      0.2959000    
 C    5.392000      -1.623600      3.3000000E-02
 C    6.104200     -0.4876000      0.4177000    
 C    2.936500       2.624300      0.7961000    
 H   -4.939700       1.131100      0.7431000    
 H   -5.920900     -0.3668000       2.428000    
 H   -6.238000      -1.597500       1.207800    
 H   -5.434000      -1.092800      -1.304800    
 H   -4.674100      0.4657000      -1.629000    
 H   -3.787500      -1.696100      0.5120000    
 H   -3.493000     -0.5829000       1.845600    
 H   -8.293600     -0.3489000       1.665100    
 H   -7.485700       1.187800       1.364900    
 H   -6.690900       1.689400      -1.133400    
 H   -7.016000      0.4569000      -2.350000    
 H   -8.033600      -1.018900     -0.6787000    
 H   -8.804300      0.5641000     -0.6063000    
 H   -2.479200       1.066300      0.2923000    
 H   -2.777600      6.2000002E-03  -1.082500    
 H  -0.9928000     -0.7159000       1.256400    
 H   -1.330800      -1.737100     -0.1381000    
 H   4.0800001E-02   1.004300     -0.2428000    
 H  -0.3160000      1.7100001E-02  -1.644000    
 H    1.127800      -1.813900     -0.7614000    
 H    1.459700     -0.8416000      0.6944000    
 H    3.558200      -2.389700     -0.7773000    
 H    6.074000       1.663500      0.5936000    
 H    5.834700      -2.612500      0.1211000    
 H    7.929000      0.2075000       1.209200    
 H    7.833800      -1.530400       1.018400    
 H    2.126400       1.937200       1.059000    
 H    3.601100       2.765000       1.654300    
 H    2.501800       3.591000      0.5280000    


%chk=000027225-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000027225

0 1
O 2.282120 0.491487 0.019668
O 4.408222 2.216720 -0.816240
N 7.716219 -1.145261 0.258820
C -5.276579 -0.178420 0.411173
C -6.399859 -1.105250 0.947610
C -5.610094 0.272732 -1.035920
C -3.894398 -0.871747 0.517809
C -7.797790 -0.449457 0.855836
C -7.006818 0.932567 -1.134497
C -8.113523 -0.001609 -0.591015
C -2.684220 0.034615 0.196371
C -1.328270 -0.670428 0.427586
C -0.120172 0.238610 0.106134
C 1.216228 -0.467762 0.348142
C 3.618395 0.040532 0.139070
C 4.650175 0.940483 -0.268877
C 3.989177 -1.241334 0.605482
C 5.998673 0.536668 -0.222214
C 5.341215 -1.644553 0.651071
C 6.369363 -0.760317 0.228076
C 3.542059 3.135191 -0.051318
H -5.254542 0.731888 1.052911
H -6.180527 -1.389721 1.996525
H -6.399014 -2.045842 0.355606
H -5.578727 -0.617877 -1.700262
H -4.839902 0.975808 -1.407535
H -3.880200 -1.755667 -0.155599
H -3.775924 -1.266982 1.549290
H -8.573290 -1.152639 1.217964
H -7.830358 0.435811 1.524897
H -7.006653 1.874536 -0.546865
H -7.221475 1.211750 -2.184694
H -8.185565 -0.897774 -1.242283
H -9.097954 0.504379 -0.630957
H -2.732869 0.947693 0.826268
H -2.734502 0.377613 -0.856229
H -1.269776 -1.009813 1.483228
H -1.283057 -1.586534 -0.197992
H -0.160489 1.151918 0.731306
H -0.163923 0.568555 -0.949595
H 1.313301 -1.366734 -0.297174
H 1.307447 -0.784364 1.409519
H 3.221905 -1.952679 0.925718
H 6.752605 1.260074 -0.551624
H 5.594425 -2.649204 1.009540
H 8.444574 -0.513951 -0.058686
H 7.984771 -2.068241 0.584149
H 2.520615 2.732208 0.041054
H 3.967614 3.319270 0.955022
H 3.541063 4.071251 -0.631367


