%chk=000003661.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003661

0 1
 O  -2.0099999E-02  5.0600000E-02  0.4106000    
 O   0.2418000       2.103500     -0.5999000    
 O    3.060500       2.564900     -0.9266000    
 N   -4.011000     -0.3672000      0.9019000    
 C   -3.703900      0.8416000      0.1140000    
 C   -3.462200      -1.449600      6.3299999E-02
 C   -4.030100      0.4501000      -1.331500    
 C   -3.869700      -1.071800      -1.365200    
 C   -2.199500       1.115100      0.3098000    
 C   -1.933000      -1.411900      0.2538000    
 C   -1.323800     -6.1000001E-02 -0.1474000    
 C   -5.439500     -0.5237000       1.164200    
 C   0.6671000       1.196200      0.1038000    
 C    2.042000       1.168400      0.7655000    
 C    2.824600     -6.6000000E-02  0.3464000    
 C    2.802400       2.469300      0.4709000    
 C    3.740000     -0.6078000       1.226500    
 C    2.596900     -0.6100000     -0.9021000    
 C    4.457700      -1.740400      0.8423000    
 C    3.314700      -1.742600      -1.286200    
 C    4.245100      -2.307800     -0.4140000    
 H   -4.272600       1.718900      0.4424000    
 H   -3.832700      -2.440200      0.3499000    
 H   -3.381400      0.9449000      -2.061700    
 H   -5.065300      0.7134000      -1.579100    
 H   -4.828500      -1.533900      -1.628600    
 H   -3.135700      -1.388400      -2.113300    
 H   -1.969000       2.029300     -0.2451000    
 H   -1.999600       1.342300       1.366000    
 H   -1.685900      -1.631400       1.301700    
 H   -1.457900      -2.208700     -0.3324000    
 H   -1.225000     -4.2800002E-02  -1.240800    
 H   -5.800900      0.3082000       1.778700    
 H   -5.616700      -1.438800       1.739900    
 H   -6.055200     -0.5685000      0.2601000    
 H    1.849800       1.128800       1.846600    
 H    3.758000       2.510500       1.004500    
 H    2.211700       3.343600      0.7635000    
 H    3.911800     -0.1707000       2.205400    
 H    1.899300     -0.1819000      -1.614800    
 H    3.781600       1.948200      -1.137700    
 H    5.182700      -2.180100       1.521000    
 H    3.153600      -2.181500      -2.266600    
 H    4.805100      -3.188700     -0.7138000    


%chk=000003661-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003661

0 1
O 0.027997 0.322055 0.014510
O 0.162551 2.591608 -0.483618
O 3.205118 1.695170 -2.023779
N -3.845911 -0.994686 0.715257
C -3.736760 0.499202 0.779649
C -3.365150 -1.264541 -0.679091
C -4.323892 1.013336 -0.588364
C -4.073519 -0.179488 -1.574115
C -2.233131 0.847350 0.935423
C -1.822614 -1.102409 -0.676966
C -1.446745 0.337812 -0.290995
C -5.206792 -1.510771 0.992478
C 0.708612 1.521501 -0.122096
C 2.190130 1.428168 0.279971
C 2.789560 0.038096 0.445944
C 3.045288 2.299381 -0.702268
C 3.594667 -0.245965 1.578250
C 2.655856 -0.958764 -0.558440
C 4.249422 -1.491150 1.712366
C 3.310171 -2.203754 -0.426166
C 4.112035 -2.474926 0.706596
H -4.296210 0.882263 1.650625
H -3.626824 -2.294729 -0.976571
H -3.831860 1.945329 -0.918132
H -5.402868 1.228020 -0.491911
H -5.025677 -0.569151 -1.975607
H -3.449821 0.111383 -2.438321
H -2.092237 1.937696 1.045839
H -1.854581 0.343339 1.842859
H -1.397185 -1.800846 0.064993
H -1.401967 -1.350441 -1.669450
H -1.586943 1.032802 -1.139580
H -5.484422 -1.255486 2.030705
H -5.198789 -2.612113 0.908013
H -6.006304 -1.120095 0.317507
H 2.239497 1.955830 1.256356
H 4.030579 2.494028 -0.230537
H 2.522391 3.251068 -0.883945
H 3.706155 0.511860 2.364400
H 2.000958 -0.776383 -1.416297
H 3.718345 0.850796 -1.930283
H 4.861397 -1.692894 2.598686
H 3.189960 -2.964896 -1.205599
H 4.616714 -3.442205 0.807603


