%chk=000041803.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041803

0 1
 O    5.627100       1.787500       1.850000    
 N  -0.5225000     -5.2900001E-02 -0.6484000    
 C    1.746800     -0.5888000     -1.9099999E-02
 C  -0.2619000      -1.469100     -0.9167000    
 C   0.6524000      0.5380000      3.0200001E-02
 C    1.233600      -1.422600      -1.210500    
 C    1.643200      -1.520900       1.236800    
 C  -0.5245000      -2.431400      0.2526000    
 C   0.2370000      -2.052400       1.520600    
 C    3.189900     -0.1038000     -0.1204000    
 C   -1.805800      0.2697000     -5.5300001E-02
 C   0.9916000       1.816300     -0.7474000    
 C   -2.954000     -0.1346000     -0.9806000    
 C    3.756400      0.6300000      0.9236000    
 C    3.947500     -0.3932000      -1.256700    
 C    5.076000       1.072900      0.8313000    
 C    5.266800      4.9500000E-02  -1.349100    
 C   -4.294400      0.2161000     -0.3851000    
 C    5.831200      0.7824000     -0.3050000    
 C   -4.946500     -0.7090000      0.4161000    
 C   -4.852600       1.458100     -0.6480000    
 C   -6.186100     -0.3848000      0.9672000    
 C   -6.092300       1.782300     -9.6799999E-02
 C   -6.759000      0.8608000      0.7109000    
 H  -0.8014000      -1.811800      -1.806300    
 H   0.4377000      0.8058000       1.072800    
 H    1.686200      -2.419400      -1.269400    
 H    1.398100     -0.9211000      -2.173800    
 H    1.987400      -1.011100       2.144500    
 H    2.317900      -2.378200       1.100700    
 H  -0.2101000      -3.438200     -5.2299999E-02
 H   -1.595100      -2.504300      0.4742000    
 H  -0.3248000      -1.288500       2.070100    
 H   0.2937000      -2.916300       2.193400    
 H   -1.930900     -0.1809000      0.9353000    
 H   -1.864900       1.354600      0.1035000    
 H    1.817200       2.358000     -0.2760000    
 H    1.273500       1.602600      -1.784500    
 H   0.1376000       2.503100     -0.7687000    
 H   -2.943100      -1.210900      -1.191200    
 H   -2.847800      0.3592000      -1.956000    
 H    3.176400      0.8800000       1.808100    
 H    3.558800     -0.9682000      -2.089900    
 H    5.856100     -0.1782000      -2.232500    
 H    6.860400       1.120900     -0.3891000    
 H   -4.507300      -1.680600      0.6237000    
 H   -4.340200       2.183100      -1.273900    
 H    6.544800       2.011200       1.617600    
 H   -6.705000      -1.101900       1.596600    
 H   -6.538200       2.752400     -0.2959000    
 H   -7.724000       1.113500       1.140400    


%chk=000041803-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041803

0 1
O 5.483304 2.040534 1.822162
N -0.535694 -0.188855 -0.558742
C 1.787168 -0.660008 -0.044953
C -0.226099 -1.595519 -0.935611
C 0.664616 0.454552 0.074982
C 1.275521 -1.473916 -1.267596
C 1.725277 -1.619786 1.197645
C -0.436863 -2.627686 0.210899
C 0.301591 -2.161262 1.489756
C 3.211867 -0.114516 -0.174642
C -1.850431 0.140050 0.002166
C 0.975913 1.795877 -0.620574
C -3.009694 -0.156043 -0.991388
C 3.737323 0.717227 0.846082
C 4.048808 -0.443392 -1.273489
C 5.054321 1.212972 0.764927
C 5.369944 0.052005 -1.346647
C -4.356678 0.254670 -0.419358
C 5.887348 0.885081 -0.332252
C -5.070083 -0.609434 0.452354
C -4.909839 1.530218 -0.703308
C -6.299478 -0.211958 1.024716
C -6.139400 1.933073 -0.134524
C -6.838893 1.062768 0.733647
H -0.817186 -1.891725 -1.823194
H 0.474552 0.654538 1.156413
H 1.771638 -2.456287 -1.361882
H 1.405037 -0.912179 -2.210362
H 2.109477 -1.097008 2.094308
H 2.419890 -2.461498 1.002613
H -0.060329 -3.614352 -0.127560
H -1.516312 -2.757135 0.426595
H -0.293848 -1.363710 1.975245
H 0.365364 -2.987626 2.223646
H -2.071297 -0.389254 0.964782
H -1.862399 1.222224 0.235410
H 1.766409 2.361176 -0.096147
H 1.298158 1.629329 -1.663733
H 0.062846 2.419606 -0.645047
H -3.012625 -1.237720 -1.227580
H -2.795978 0.384516 -1.931841
H 3.133419 1.001086 1.714685
H 3.675005 -1.087845 -2.074194
H 6.003853 -0.211264 -2.200911
H 6.913820 1.269870 -0.393132
H -4.661951 -1.603629 0.675947
H -4.373831 2.208100 -1.379708
H 6.414042 2.341638 1.675139
H -6.837782 -0.894592 1.692507
H -6.553118 2.920346 -0.370426
H -7.793802 1.371642 1.173773


