%chk=000050228.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050228

1 1
 O  -0.7957000     -0.1371000      -1.353800    
 N   -3.283300      4.1999999E-02 -4.2800002E-02
 N   0.2747000     -0.4088000      0.7204000    
 C   -4.546300     -0.2860000      0.7402000    
 C   -3.050900       1.545900     -2.4400000E-02
 C   -2.094100     -0.6627000      0.5940000    
 C   -3.441500     -0.4294000      -1.481200    
 C   -4.771800      -1.782000      0.7184000    
 C   -4.235900       2.241000     -0.6586000    
 C  -0.8109000     -0.3681000     -0.1493000    
 C    1.637500     -0.1884000      0.4093000    
 C    2.431900      -1.260600      3.0999999E-02
 C    2.155700       1.095600      0.4876000    
 C    3.775200      -1.043800     -0.2760000    
 C    3.499100       1.312500      0.1806000    
 C    4.308700      0.2428000     -0.2011000    
 C    1.889200      -2.650200     -5.8300000E-02
 C    1.313600       2.261500      0.8942000    
 C    5.744600      0.4756000     -0.5302000    
 H   -4.428000      9.0099998E-02   1.762400    
 H   -5.404600      0.1980000      0.2675000    
 H   -2.919100       1.857400       1.018100    
 H   -2.140900       1.782800     -0.5827000    
 H   -2.039400     -0.3362000       1.638700    
 H   -2.237400      -1.746000      0.5490000    
 H   -2.879400      0.2151000      -2.162800    
 H   -3.106100      -1.467600      -1.572500    
 H   -4.498200     -0.3709000      -1.765300    
 H   -5.753800      -1.990000       1.160900    
 H   -4.791100      -2.223200     -0.2808000    
 H   -4.055100      -2.328300       1.337900    
 H   -3.992300       3.304900     -0.7692000    
 H   -4.489500       1.883900      -1.659300    
 H   -5.130500       2.215100     -3.0300001E-02
 H   0.1175000     -0.7789000       1.655400    
 H    4.411000      -1.874600     -0.5729000    
 H    3.920200       2.313500      0.2385000    
 H    1.442400      -2.951500      0.8951000    
 H    1.134100      -2.714900     -0.8485000    
 H    2.672100      -3.380100     -0.2915000    
 H    1.906400       3.176800      0.9982000    
 H   0.5404000       2.453400      0.1431000    
 H   0.8382000       2.074900       1.863000    
 H    6.102600     -0.2461000      -1.272400    
 H    5.895600       1.473400     -0.9561000    
 H    6.356500      0.3829000      0.3725000    


%chk=000050228-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050228

1 1
O -0.716529 1.138839 -0.708386
N -3.358356 0.139816 0.039988
N 0.312754 -0.396488 0.735624
C -4.584819 -0.508155 0.745068
C -3.580111 1.691461 -0.012770
C -2.109124 -0.136169 0.892399
C -3.192555 -0.427758 -1.369653
C -4.617713 -2.040980 0.758809
C -4.692234 2.161526 -0.954760
C -0.771520 0.262347 0.207770
C 1.698471 -0.191027 0.361717
C 2.435049 -1.337049 -0.057623
C 2.302215 1.093094 0.462622
C 3.793676 -1.169832 -0.400708
C 3.664881 1.206210 0.095074
C 4.428839 0.096206 -0.337255
C 1.778275 -2.704167 -0.149366
C 1.550055 2.310640 0.959812
C 5.895545 0.249445 -0.691795
H -4.587828 -0.101782 1.772137
H -5.469321 -0.116459 0.218536
H -3.790441 1.986627 1.031214
H -2.605620 2.101894 -0.321186
H -2.233098 0.438234 1.828383
H -2.113588 -1.210278 1.141877
H -2.460834 0.189175 -1.908477
H -2.827896 -1.463271 -1.299584
H -4.167922 -0.411839 -1.876213
H -5.541009 -2.346809 1.281980
H -4.664228 -2.477129 -0.252234
H -3.778455 -2.498796 1.309381
H -4.735680 3.262682 -0.878650
H -4.481187 1.928181 -2.011029
H -5.696217 1.786897 -0.693079
H 0.134407 -1.172963 1.381583
H 4.367579 -2.042729 -0.733658
H 4.143665 2.190470 0.161543
H 1.488672 -3.101010 0.845778
H 0.868155 -2.681489 -0.778511
H 2.470041 -3.439022 -0.591405
H 2.251220 3.109088 1.252552
H 0.881980 2.707895 0.173405
H 0.921256 2.074216 1.839041
H 6.203898 -0.472288 -1.467705
H 6.120819 1.264939 -1.059634
H 6.536235 0.071306 0.193389


