%chk=000101702.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101702

0 1
 O    5.493800     -0.2007000     -0.7157000    
 N   -5.263500     -0.3396000       1.706700    
 C  -0.7036000     -0.3667000      0.1647000    
 C   2.9300001E-02  0.9550000     -0.2374000    
 C    1.424800      0.9504000      0.3963000    
 C    2.288900     -0.2453000     -6.0100000E-02
 C   -2.171100     -0.4198000     -0.4025000    
 C   -2.914000      0.8551000      0.1130000    
 C   0.1517000      -1.623200     -0.1467000    
 C    1.589300      -1.532800      0.3972000    
 C  -0.7767000       2.191800      0.1854000    
 C    3.594100      8.6800002E-02  0.6968000    
 C    2.340900       2.150300      0.1827000    
 C   -2.217600       2.150800     -0.3197000    
 C   -2.927600      -1.663600      0.1454000    
 C    3.735400       1.617300      0.5585000    
 C   -4.407000      0.8692000     -0.2584000    
 C    2.531900     -0.2976000      -1.591400    
 C   -2.157700     -0.5004000      -1.951300    
 C   -4.426800      -1.663100     -0.1827000    
 C   -5.144700     -0.3793000      0.2463000    
 C    4.801700     -0.6451000      0.1989000    
 C    5.128600      -1.949500      0.8740000    
 H  -0.7975000     -0.3465000       1.262400    
 H   0.1375000       1.000600      -1.325600    
 H    1.274400      0.8735000       1.486600    
 H   -2.866500      0.8392000       1.212700    
 H   0.1884000      -1.803500      -1.225300    
 H  -0.3141000      -2.509800      0.2977000    
 H    1.552700      -1.574300       1.493400    
 H    2.147700      -2.416900      7.0600003E-02
 H  -0.2963000       3.101700     -0.1928000    
 H  -0.7843000       2.272200       1.280000    
 H    3.481400     -0.1369000       1.766700    
 H    2.059100       3.001800      0.8103000    
 H    2.325600       2.487100     -0.8598000    
 H   -2.755800       3.015700      8.7099999E-02
 H   -2.236900       2.259800      -1.409900    
 H   -2.802900      -1.718500       1.234700    
 H   -2.494300      -2.585400     -0.2607000    
 H    4.467700       1.934000     -0.1913000    
 H    4.060000       2.045500       1.514400    
 H   -4.881500       1.768800      0.1559000    
 H   -4.528000      0.9478000      -1.345300    
 H    3.082200      0.5743000      -1.958900    
 H    3.112500      -1.187200      -1.861800    
 H    1.603300     -0.3488000      -2.165700    
 H   -1.582000      0.3057000      -2.412300    
 H   -1.725500      -1.445900      -2.295000    
 H   -3.161800     -0.4472000      -2.380800    
 H   -4.564900      -1.804400      -1.261400    
 H   -4.896800      -2.536000      0.2888000    
 H   -6.159000     -0.3835000     -0.1700000    
 H   -5.802900      -1.142000       2.028800    
 H   -5.786600      0.4895000       1.985400    
 H    5.230400      -1.794200       1.951000    
 H    4.350300      -2.686200      0.6701000    
 H    6.079200      -2.329900      0.4891000    


%chk=000101702-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101702

0 1
O 5.638100 -0.259768 -0.631527
N -5.227744 -0.375146 1.754080
C -0.718695 -0.349683 0.116590
C 0.013960 0.978462 -0.272760
C 1.424055 0.973046 0.357549
C 2.304522 -0.245019 -0.078554
C -2.192900 -0.413045 -0.443545
C -2.949326 0.854813 0.099105
C 0.141062 -1.599958 -0.225162
C 1.577632 -1.537699 0.362464
C -0.799559 2.216527 0.179825
C 3.631279 0.107560 0.718589
C 2.353314 2.194496 0.159980
C -2.260672 2.172280 -0.317701
C -2.928480 -1.662809 0.137274
C 3.772375 1.656885 0.548257
C -4.454488 0.847603 -0.254311
C 2.593721 -0.270502 -1.603292
C -2.197184 -0.481739 -1.996374
C -4.440263 -1.693104 -0.189640
C -5.183155 -0.414341 0.270368
C 4.862928 -0.680333 0.272199
C 5.123493 -2.010533 0.972137
H -0.821596 -0.326511 1.228121
H 0.118933 1.026942 -1.377349
H 1.271839 0.858370 1.457307
H -2.891879 0.784712 1.207384
H 0.207054 -1.725545 -1.322875
H -0.355692 -2.508522 0.163505
H 1.517911 -1.562082 1.471776
H 2.136713 -2.441086 0.044684
H -0.301025 3.139999 -0.173748
H -0.797716 2.257124 1.290696
H 3.432174 -0.145904 1.780667
H 2.052158 3.055148 0.782840
H 2.331985 2.532778 -0.893676
H -2.825198 3.031088 0.099784
H -2.288661 2.289008 -1.420757
H -2.807002 -1.661853 1.238740
H -2.465307 -2.592512 -0.247354
H 4.522181 1.872156 -0.232694
H 4.136375 2.113254 1.486359
H -4.933016 1.753863 0.174461
H -4.599746 0.913923 -1.350988
H 3.216341 0.583177 -1.919570
H 3.144637 -1.188845 -1.878291
H 1.663586 -0.252121 -2.195285
H -1.617260 0.338505 -2.453772
H -1.761406 -1.435410 -2.346989
H -3.220803 -0.423801 -2.405817
H -4.594171 -1.812340 -1.279968
H -4.905107 -2.581529 0.286372
H -6.207385 -0.433188 -0.178928
H -5.637203 -1.218084 2.172677
H -5.661727 0.477162 2.126674
H 5.490519 -1.816250 1.999606
H 4.194167 -2.600031 1.071946
H 5.886251 -2.589490 0.428012


