%chk=000100007.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100007

0 1
 O    3.966600       2.842200      -1.312800    
 O   -4.285700     -0.1898000      -1.260900    
 N    2.426300       1.665200     -0.1273000    
 N   -3.669600      0.3349000      0.9478000    
 N   -6.911900     -0.1827000     -0.6973000    
 C    4.689600      0.6982000     -0.4161000    
 C    4.007200     -0.6656000     -0.2558000    
 C    2.022500      0.5495000      0.7232000    
 C    2.711200     -0.7383000      0.3052000    
 C    3.675500       1.825200     -0.6800000    
 C    5.712300      0.7236000      -1.576000    
 C    5.434700       1.038400      0.8898000    
 C   0.5040000      0.4922000      0.7833000    
 C    4.665300      -1.865600     -0.5849000    
 C    2.132300      -1.998200      0.5457000    
 C    4.061300      -3.105100     -0.3718000    
 C    2.797100      -3.171600      0.1968000    
 C  -0.1509000      0.7348000       1.987600    
 C  -0.2235000      0.1973000     -0.3667000    
 C   -1.543700      0.6822000       2.042500    
 C   -1.616300      0.1449000     -0.3118000    
 C   -2.276400      0.3872000      0.8927000    
 C   -4.571800      5.6600001E-02 -9.3599997E-02
 C   -6.005600      0.1030000      0.4056000    
 C   -8.300000     -0.1363000     -0.2574000    
 C   -9.250400     -0.4221000      -1.407800    
 H    2.403800      0.7931000       1.723800    
 H    1.771400       2.432200     -0.2514000    
 H    5.242400      0.4298000      -2.522100    
 H    6.137600       1.724100      -1.720100    
 H    6.562000      5.6299999E-02  -1.395700    
 H    4.760600       1.075700       1.752500    
 H    6.209600      0.2955000       1.112900    
 H    5.920500       2.019100      0.8225000    
 H    5.669200      -1.863700     -0.9981000    
 H    1.158000      -2.088100       1.018600    
 H    4.588600      -4.017600     -0.6342000    
 H    2.332500      -4.135500      0.3818000    
 H   0.4064000      0.9656000       2.891300    
 H   0.2766000      9.6000005E-03  -1.313300    
 H   -2.045000      0.8732000       2.988000    
 H   -2.112500     -8.9000002E-02  -1.243100    
 H   -4.073600      0.5226000       1.863100    
 H   -6.192300       1.104000      0.8112000    
 H   -6.117100     -0.6362000       1.207400    
 H   -6.708100      -1.106400      -1.078700    
 H   -8.474100     -0.8726000      0.5362000    
 H   -8.533600      0.8550000      0.1484000    
 H   -9.128600      0.3110000      -2.212400    
 H   -9.078700      -1.420200      -1.824800    
 H   -10.28800     -0.3748000      -1.062200    


%chk=000100007-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100007

0 1
O 3.881647 2.724339 -1.698623
O -4.387972 -0.290699 -1.180548
N 2.433411 1.636411 -0.268006
N -3.712199 0.188786 1.020414
N -7.039746 0.147214 -0.500221
C 4.723647 0.694691 -0.547082
C 4.067850 -0.658737 -0.220058
C 2.066201 0.607761 0.732518
C 2.796127 -0.705518 0.415592
C 3.653107 1.760289 -0.906202
C 5.743783 0.617886 -1.707423
C 5.454304 1.223802 0.736954
C 0.544183 0.484684 0.792265
C 4.740038 -1.879267 -0.478629
C 2.235591 -1.947857 0.793303
C 4.178536 -3.118817 -0.102671
C 2.921915 -3.154940 0.541275
C -0.147039 0.664923 2.012776
C -0.209570 0.194271 -0.373079
C -1.550539 0.557912 2.070932
C -1.613111 0.088130 -0.337321
C -2.296120 0.271671 0.896876
C -4.660261 -0.092951 0.040155
C -6.102080 -0.191970 0.567789
C -8.418202 -0.337430 -0.314121
C -9.292429 0.035888 -1.523211
H 2.405541 0.942352 1.740687
H 1.757407 2.384592 -0.445913
H 5.314057 0.111226 -2.589362
H 6.020961 1.640759 -2.009361
H 6.658538 0.080802 -1.399289
H 4.761395 1.340108 1.590093
H 6.244614 0.511965 1.035021
H 5.917125 2.204779 0.528357
H 5.711951 -1.864903 -0.981107
H 1.251864 -1.970651 1.274343
H 4.717732 -4.048957 -0.314197
H 2.476247 -4.111516 0.835152
H 0.414220 0.893646 2.926886
H 0.313100 0.048686 -1.325297
H -2.068206 0.702802 3.027985
H -2.187625 -0.128380 -1.239447
H -4.081960 0.369844 1.957314
H -6.242835 0.478878 1.442679
H -6.233177 -1.240942 0.950646
H -6.638837 -0.077864 -1.422222
H -8.460263 -1.445922 -0.148996
H -8.837022 0.130236 0.600045
H -9.301067 1.130357 -1.666769
H -8.905975 -0.428430 -2.450528
H -10.331157 -0.311137 -1.378770


