%chk=000048590.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048590

0 1
 O    1.310000     -0.4879000      -2.052300    
 O  -0.1093000      0.7753000       2.241900    
 O    2.957600       3.300400     -5.4499999E-02
 N    2.057100       1.457300      -1.092600    
 N    1.348500       2.087900       1.052800    
 C   8.2900003E-02  0.3564000     -0.1388000    
 C   -1.104100       1.118300     -0.7551000    
 C  -0.3381000      -1.092300      0.1482000    
 C    1.204800      0.3661000      -1.172200    
 C   0.4302000       1.055400       1.171800    
 C   -2.295200       1.058700      0.1461000    
 C   0.8387000      -1.914400      0.5692000    
 C    2.163900       2.358000     -3.9700001E-02
 C   -3.494800      0.5047000     -0.1133000    
 C    1.052300      -3.223600      0.3374000    
 C   -4.658000      0.4763000      0.8372000    
 C   -3.755200     -0.1661000      -1.435800    
 C    2.259600      -3.995900      0.7883000    
 C   4.8799999E-02  -4.034600     -0.4385000    
 H  -0.8463000       2.178600     -0.8863000    
 H   -1.309200      0.7570000      -1.767200    
 H   -1.081800      -1.153300      0.9516000    
 H  -0.7972000      -1.510900     -0.7544000    
 H   -2.197900       1.565200       1.104300    
 H    1.593900      -1.404000       1.166000    
 H    2.729100       1.564700      -1.847400    
 H    1.498000       2.660100       1.879100    
 H   -5.527400      0.9686000      0.3899000    
 H   -4.926400     -0.5560000       1.083800    
 H   -4.425800      0.9938000       1.773800    
 H   -2.861400     -0.5730000      -1.913500    
 H   -4.240800      0.5331000      -2.123800    
 H   -4.427000      -1.021400      -1.297800    
 H    1.965800      -4.805900       1.463500    
 H    2.779300      -4.427500     -7.3100001E-02
 H    2.971000      -3.357000       1.321900    
 H  -0.9483000      -3.589900     -0.4805000    
 H  -8.1400000E-02  -5.016500      3.0900000E-02
 H   0.4043000      -4.193200      -1.461700    


%chk=000048590-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048590

0 1
O 0.700556 -0.497314 -2.340839
O -0.138067 1.045032 2.196661
O 3.624168 2.382767 -0.167582
N 2.114465 0.946647 -1.228222
N 1.672100 1.741556 0.949264
C -0.061310 0.280463 -0.141525
C -1.314805 1.090175 -0.717539
C -0.496459 -1.169482 0.265687
C 0.933148 0.187779 -1.310276
C 0.467061 1.022756 1.092821
C -2.522052 1.119273 0.190368
C 0.621367 -1.984254 0.884736
C 2.545981 1.739022 -0.151052
C -3.763489 0.618429 -0.082619
C 1.236087 -3.086489 0.363317
C -4.888268 0.767146 0.930006
C -4.157813 -0.102776 -1.359478
C 2.315457 -3.812564 1.151764
C 0.917512 -3.699598 -0.989174
H -0.978441 2.126961 -0.928050
H -1.549181 0.624321 -1.689777
H -1.322727 -1.053785 0.991006
H -0.906109 -1.651903 -0.637511
H -2.369547 1.609541 1.160958
H 0.934616 -1.650314 1.886240
H 2.748836 0.906776 -2.032730
H 1.987211 2.279697 1.763369
H -5.738187 1.333129 0.499322
H -5.286639 -0.223622 1.226191
H -4.553565 1.289576 1.842240
H -3.326189 -0.231208 -2.070551
H -4.967852 0.445410 -1.880251
H -4.560747 -1.107676 -1.124104
H 2.039342 -4.873602 1.313756
H 3.274919 -3.818375 0.597217
H 2.489457 -3.349437 2.138415
H 0.264265 -3.067800 -1.610734
H 0.434975 -4.689549 -0.861935
H 1.850121 -3.874209 -1.560188


