%chk=000049686.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049686

0 1
 O  -0.1944000      0.1936000      0.3475000    
 O    4.541900     -0.1206000      0.6682000    
 O  -0.5275000      -3.802000     -0.3542000    
 N    2.349000       2.259500     -0.4894000    
 C   0.9252000     -0.5927000      0.3025000    
 C    2.154400      3.5300002E-02  0.5059000    
 C   0.8727000      -1.962800      6.7100003E-02
 C   -1.633500      -1.710700     -9.1200002E-02
 C   -1.429100     -0.4005000      0.1533000    
 C  -0.4364000      -2.598800     -0.1453000    
 C    2.219500       1.508000      0.7592000    
 C    3.330700     -0.7137000      0.4724000    
 C   -2.954800      -2.383100     -0.3290000    
 C    2.048800      -2.717000      3.3300001E-02
 C    3.277600      -2.087700      0.2364000    
 C   -2.527300      0.5719000      0.2372000    
 C   -3.318600      -2.395300      -1.800300    
 C    2.421300       3.687700     -0.2250000    
 C   -3.141500      0.8269000       1.463600    
 C   -2.956200       1.241200     -0.9093000    
 C    2.556500       4.453800      -1.526900    
 C   -4.183800       1.750500       1.543600    
 C   -3.998400       2.164900     -0.8293000    
 C   -4.612100       2.419400      0.3971000    
 C    5.216200      0.3721000     -0.4876000    
 H    1.330600       1.835700       1.313800    
 H    3.063800       1.732100       1.424100    
 H   -2.945900      -3.408100      5.9999999E-02
 H   -3.751300      -1.877900      0.2296000    
 H    2.028500      -3.787700     -0.1490000    
 H    4.191300      -2.675700      0.2099000    
 H    1.546100       2.066600      -1.088400    
 H   -4.282500      -2.894400      -1.944400    
 H   -2.572000      -2.937000      -2.390900    
 H   -3.404500      -1.384600      -2.209600    
 H    1.521200       4.030600      0.2986000    
 H    3.287300       3.914600      0.4075000    
 H   -2.818300      0.3138000       2.366100    
 H   -2.485500       1.056500      -1.871900    
 H    2.621400       5.528500      -1.328200    
 H    1.693500       4.284400      -2.180000    
 H    3.460400       4.157000      -2.069900    
 H   -4.661700       1.948900       2.498600    
 H   -4.331500       2.686500      -1.721800    
 H   -5.423500       3.138700      0.4593000    
 H    4.527200      0.6222000      -1.300800    
 H    5.924600     -0.3852000     -0.8363000    
 H    5.772400       1.270300     -0.2060000    


%chk=000049686-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049686

0 1
O -0.177538 0.100527 0.242069
O 4.630247 -0.372833 0.727594
O -0.628381 -3.955065 -0.558519
N 2.294634 2.277667 -0.305208
C 0.960904 -0.724841 0.222536
C 2.194933 -0.081761 0.498293
C 0.843838 -2.106606 -0.063725
C -1.646917 -1.783695 -0.287722
C -1.460602 -0.437043 -0.020350
C -0.483244 -2.705140 -0.326801
C 2.238490 1.384373 0.886890
C 3.355370 -0.896921 0.444679
C -3.004207 -2.428297 -0.499535
C 2.028587 -2.889794 -0.064835
C 3.271243 -2.293758 0.182257
C -2.472652 0.643836 0.081433
C -3.283518 -2.781863 -1.985503
C 2.283966 3.720395 0.041948
C -2.314273 1.656352 1.069564
C -3.584108 0.719669 -0.801290
C 2.282406 4.588089 -1.227563
C -3.256243 2.698368 1.187735
C -4.522755 1.766650 -0.683021
C -4.367400 2.756803 0.313983
C 5.173911 0.583890 -0.274262
H 1.356634 1.612229 1.530488
H 3.145599 1.566109 1.492492
H -3.003644 -3.376728 0.069737
H -3.809971 -1.792709 -0.093891
H 1.929743 -3.959558 -0.273321
H 4.198638 -2.873614 0.180662
H 1.524102 2.052776 -0.953457
H -4.274561 -3.260527 -2.086673
H -2.521095 -3.488619 -2.352967
H -3.266057 -1.887159 -2.635717
H 1.409356 3.993115 0.684666
H 3.192908 3.931474 0.640010
H -1.454362 1.612278 1.745020
H -3.698680 -0.018658 -1.599609
H 2.307535 5.661768 -0.968617
H 1.372060 4.408289 -1.830673
H 3.160594 4.355668 -1.855138
H -3.125942 3.463133 1.961241
H -5.370008 1.813395 -1.375751
H -5.098951 3.567186 0.405024
H 4.417110 1.342813 -0.552101
H 5.498443 0.025326 -1.173346
H 6.045654 1.048713 0.211374


