%chk=000047346.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047346

0 1
 O   -8.154100      0.6682000      -1.308200    
 N   -6.969700      0.3868000      0.6774000    
 C    2.241000     -0.5627000     -0.3761000    
 C    3.473200     -2.7400000E-02  0.3551000    
 C   0.9594000     -0.2752000      0.4091000    
 C    4.757200     -0.3432000     -0.4140000    
 C  -0.2679000     -0.8412000     -0.3081000    
 C    5.993300      0.1627000      0.3340000    
 C   -1.583700     -0.5744000      0.4296000    
 C    7.278800     -0.1834000     -0.4234000    
 C   -2.841400      -1.166500     -0.2158000    
 C    8.552300      0.3645000      0.2469000    
 C   -4.131400     -0.7935000      0.5181000    
 C   -5.397200      -1.321500     -0.1683000    
 C    8.475500       1.890700      0.3368000    
 C    9.825600     -4.4599999E-02 -0.4951000    
 C   -6.706100      -1.020600      0.5570000    
 C   -7.675300       1.117200     -0.2700000    
 C   -7.829500       2.564100      0.1150000    
 H    2.344400      -1.644600     -0.5244000    
 H    2.174800     -0.1048000      -1.370400    
 H    3.527300     -0.4725000       1.356100    
 H    3.380100       1.057300      0.4882000    
 H    1.032100     -0.7164000       1.410500    
 H   0.8416000      0.8072000      0.5398000    
 H    4.838300      -1.427000     -0.5623000    
 H    4.713100      0.1172000      -1.408500    
 H  -0.1456000      -1.924200     -0.4336000    
 H  -0.3323000     -0.4116000      -1.315400    
 H    6.030300     -0.2769000       1.337800    
 H    5.891300       1.245700      0.4549000    
 H   -1.713400      0.5113000      0.5237000    
 H   -1.501100     -0.9649000       1.452000    
 H    7.212800      0.2015000      -1.449300    
 H    7.361100      -1.274700     -0.5049000    
 H   -2.746500      -2.258300     -0.2559000    
 H   -2.905100     -0.8156000      -1.253200    
 H    8.615000     -3.8100000E-02   1.265900    
 H   -4.087700      -1.183600       1.542300    
 H   -4.193000      0.2985000      0.5976000    
 H   -5.445300     -0.9076000      -1.183500    
 H   -5.309000      -2.409600     -0.2778000    
 H    8.258700       2.340400     -0.6381000    
 H    9.427100       2.303800      0.6900000    
 H    7.712800       2.218700       1.048900    
 H    9.832600      0.3498000      -1.516900    
 H    10.71670      0.3286000      2.0500001E-02
 H    9.904100      -1.135200     -0.5529000    
 H   -7.537400      -1.492800      2.1800000E-02
 H   -6.680900      -1.435200       1.570300    
 H   -6.617200      0.8633000       1.502500    
 H   -6.871200       2.973300      0.4474000    
 H   -8.174500       3.140000     -0.7482000    
 H   -8.562000       2.649700      0.9221000    


%chk=000047346-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047346

0 1
O -8.781905 0.276014 -0.932168
N -7.105041 0.372100 0.682286
C 2.278322 -0.540720 -0.374037
C 3.540269 0.019243 0.320225
C 0.967592 -0.203013 0.371557
C 4.851245 -0.317704 -0.425272
C -0.292383 -0.778292 -0.313609
C 6.114356 0.225108 0.281551
C -1.603450 -0.443913 0.432963
C 7.420167 -0.104109 -0.477562
C -2.860335 -1.031912 -0.246931
C 8.726010 0.300830 0.258534
C -4.172831 -0.708001 0.502231
C -5.422414 -1.302244 -0.185688
C 8.835516 1.832279 0.455580
C 9.963358 -0.236060 -0.500066
C -6.744277 -1.052938 0.578018
C -8.102507 0.945283 -0.094698
C -8.334458 2.438761 0.131946
H 2.371836 -1.643080 -0.468455
H 2.223239 -0.144666 -1.409768
H 3.595626 -0.379086 1.355206
H 3.446964 1.121426 0.417049
H 1.028028 -0.589925 1.410566
H 0.868159 0.899596 0.456556
H 4.937863 -1.419320 -0.534587
H 4.802779 0.092701 -1.455850
H -0.191026 -1.880685 -0.398518
H -0.353774 -0.391876 -1.352552
H 6.170331 -0.200221 1.306086
H 6.013349 1.322256 0.404003
H -1.709474 0.658681 0.510689
H -1.538251 -0.823880 1.474267
H 7.401938 0.388612 -1.473278
H 7.449361 -1.197009 -0.672773
H -2.750556 -2.133584 -0.329127
H -2.929532 -0.649159 -1.286425
H 8.706364 -0.173952 1.263645
H -4.104834 -1.095120 1.541495
H -4.277202 0.394874 0.580393
H -5.520363 -0.893518 -1.210247
H -5.292337 -2.398976 -0.290963
H 8.818051 2.351182 -0.523026
H 9.782298 2.099026 0.961572
H 8.005074 2.230316 1.065953
H 10.021791 0.206171 -1.513833
H 10.900690 0.014881 0.031034
H 9.919457 -1.335684 -0.613866
H -7.581499 -1.542594 0.050959
H -6.676272 -1.481170 1.598049
H -6.580473 0.964647 1.326457
H -7.662655 2.882727 0.887558
H -8.200027 2.972757 -0.824434
H -9.380158 2.595640 0.448307


