%chk=000053086.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053086

0 1
 O    3.623900      0.9310000      -2.311700    
 N   0.7063000      0.5444000     -0.3093000    
 N    2.004700      0.4736000     -0.6642000    
 N    4.145200      -2.173600      0.9218000    
 C   0.1153000       1.594900      0.3560000    
 C   -1.231900       1.268300      0.5252000    
 C   -1.427800     -1.3300000E-02 -6.1299998E-02
 C    2.998100     -0.1187000      0.2573000    
 C  -0.2182000     -0.4321000     -0.5658000    
 C    3.142100      -1.615400      2.4200000E-02
 C   -2.618200     -0.8081000     -0.1620000    
 C   0.6647000       2.796900      0.8164000    
 C   -2.074100       2.184700       1.185900    
 C    2.454700      0.9602000      -1.917600    
 C  -0.1899000       3.690300       1.468600    
 C   -1.538500       3.391000       1.651600    
 C   -2.937700      -1.718100      0.8464000    
 C   -3.457500     -0.6718000      -1.268300    
 C    4.316500      -3.607100      0.6770000    
 C    3.775800      -1.938600       2.319000    
 C    1.389000       1.551800      -2.813700    
 C   -4.094700      -2.491100      0.7485000    
 C   -4.614500      -1.444700      -1.366200    
 C   -4.933100      -2.354200     -0.3578000    
 H    3.959700      0.3861000      0.1052000    
 H    2.652900      0.1232000       1.267600    
 H   6.0800001E-02  -1.339100      -1.087600    
 H    2.173700      -2.115100      0.1560000    
 H    3.443200      -1.783600      -1.017800    
 H    1.713800       3.035400      0.6767000    
 H   -3.127600       1.966500       1.336700    
 H   0.2052000       4.633100       1.838400    
 H   -2.183300       4.101600       2.161800    
 H   -2.295400      -1.837000       1.716000    
 H   -3.224200      3.2900002E-02  -2.063200    
 H    4.620200      -3.786700     -0.3604000    
 H    3.397600      -4.172400      0.8707000    
 H    5.113000      -4.014100       1.309900    
 H    3.904200     -0.8903000       2.605200    
 H    4.444100      -2.494700       2.988200    
 H    2.749400      -2.253200       2.540500    
 H   0.6306000      0.8032000      -3.055800    
 H   0.9288000       2.422900      -2.341600    
 H    1.849200       1.880200      -3.751000    
 H   -4.343000      -3.199200       1.533600    
 H   -5.267700      -1.338300      -2.227500    
 H   -5.834100      -2.955900     -0.4341000    


%chk=000053086-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053086

0 1
O 3.766082 0.815241 -2.283941
N 0.726608 0.560227 -0.399251
N 2.084280 0.478885 -0.734213
N 4.139554 -2.158675 1.107051
C 0.124146 1.632145 0.285603
C -1.255877 1.279618 0.475979
C -1.463153 -0.040561 -0.109780
C 3.025144 -0.092088 0.264544
C -0.236044 -0.448034 -0.626436
C 3.258902 -1.608162 0.055995
C -2.743694 -0.803661 -0.139137
C 0.672699 2.850907 0.735133
C -2.111550 2.195952 1.142034
C 2.541372 0.926304 -1.990693
C -0.199696 3.740678 1.395865
C -1.575204 3.416813 1.596174
C -3.088599 -1.676645 0.927188
C -3.653730 -0.658792 -1.220161
C 4.925635 -3.326279 0.660316
C 3.440087 -2.414661 2.381727
C 1.500060 1.532884 -2.921550
C -4.306900 -2.392781 0.909845
C -4.872646 -1.374293 -1.239116
C -5.202909 -2.244242 -0.174168
H 3.991144 0.428103 0.160816
H 2.610023 0.117461 1.265251
H 0.038473 -1.365835 -1.141628
H 2.272195 -2.137862 0.012292
H 3.750687 -1.739384 -0.924163
H 1.728911 3.095039 0.579090
H -3.168137 1.951977 1.297148
H 0.185412 4.698724 1.762265
H -2.221086 4.134999 2.113227
H -2.395382 -1.790776 1.768263
H -3.399626 0.017027 -2.044629
H 5.501477 -3.063588 -0.244100
H 4.299464 -4.224802 0.427428
H 5.644399 -3.611001 1.450036
H 2.932920 -1.500957 2.736988
H 4.172929 -2.710645 3.153431
H 2.671148 -3.225589 2.303617
H 0.702091 0.809405 -3.164662
H 1.014728 2.412705 -2.463069
H 2.010126 1.837420 -3.846890
H -4.555675 -3.064743 1.739096
H -5.561877 -1.253260 -2.082549
H -6.147615 -2.799400 -0.188768


