%chk=000048441.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048441

0 1
 O  -0.4110000      0.1925000      -1.904600    
 O    1.979600      -2.444700       1.058100    
 O    2.217400       2.112100       1.410900    
 N   0.7381000       1.224400     -0.1626000    
 N    2.027200     -0.1597000       1.256200    
 C   0.2163000      -1.180900     -2.1100000E-02
 C   5.2499998E-02  -2.376200     -0.9729000    
 C  -0.9580000      -1.167200      0.9744000    
 C   0.1567000      0.1239000     -0.8130000    
 C    1.494000      -1.348000      0.7847000    
 C    1.236200      -2.492100      -1.908100    
 C   -2.245500     -0.8888000      0.2683000    
 C    1.679800       1.136100      0.8808000    
 C   0.4694000       2.550300     -0.7066000    
 C   -3.070900      0.1600000      0.4477000    
 C    1.508800       2.939100      -1.744300    
 C   -4.356800      0.3855000     -0.2958000    
 C   -2.733500       1.233800       1.447700    
 H  -0.8460000      -2.292600      -1.594200    
 H  -4.3200001E-02  -3.313900     -0.4105000    
 H   -1.044300      -2.148600       1.461300    
 H  -0.7653000     -0.4731000       1.797300    
 H    1.393500      -1.588200      -2.503500    
 H    2.171500      -2.724100      -1.392300    
 H    1.060400      -3.311300      -2.614800    
 H    2.799900     -0.2422000       1.911100    
 H   -2.572700      -1.643700     -0.4439000    
 H  -0.5277000       2.564400      -1.161100    
 H   0.4705000       3.284400      0.1069000    
 H    2.514500       2.961500      -1.312300    
 H    1.521000       2.229300      -2.577800    
 H    1.289500       3.933100      -2.146400    
 H   -5.195500      0.4509000      0.4048000    
 H   -4.307600       1.314100     -0.8732000    
 H   -4.567100     -0.4312000     -0.9942000    
 H   -1.667600       1.337600       1.657500    
 H   -3.263800       1.051700       2.387900    
 H   -3.051400       2.211900       1.067700    


%chk=000048441-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048441

0 1
O -0.531524 0.485121 -1.696708
O 1.845108 -2.545643 1.167385
O 2.570158 2.025923 1.430362
N 0.910302 1.290933 -0.061939
N 2.142603 -0.254727 1.274824
C 0.207741 -1.137577 -0.016023
C 0.000791 -2.264328 -1.062090
C -0.986303 -1.156050 1.067165
C 0.180092 0.241572 -0.687731
C 1.465084 -1.397480 0.818371
C 1.143253 -2.385961 -2.092703
C -2.373010 -1.056881 0.480106
C 1.904916 1.087708 0.917324
C 0.733343 2.682708 -0.573064
C -3.192395 0.035488 0.476734
C 1.704254 3.008773 -1.723010
C -4.578054 -0.041919 -0.140473
C -2.829501 1.394340 1.046450
H -0.946879 -2.058797 -1.587815
H -0.105765 -3.216781 -0.511306
H -0.873499 -2.123220 1.594155
H -0.802568 -0.356181 1.807838
H 1.253793 -1.457159 -2.680953
H 2.106527 -2.619377 -1.604881
H 0.925813 -3.203054 -2.803605
H 2.920765 -0.399438 1.926605
H -2.755292 -1.978941 0.020862
H -0.311400 2.760540 -0.914547
H 0.899191 3.360897 0.279547
H 2.752683 2.932570 -1.387083
H 1.543718 2.327766 -2.575734
H 1.532595 4.042944 -2.071941
H -5.359717 0.223205 0.598747
H -4.674258 0.677983 -0.977202
H -4.799409 -1.050039 -0.530304
H -1.833996 1.423904 1.518657
H -3.575577 1.713307 1.800421
H -2.844682 2.157973 0.243660


