%chk=000128082.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128082

0 1
 O  -0.1237000       3.961500     -0.8104000    
 O    7.168800      -3.396500      2.8400000E-02
 O   -7.705200      -2.695500     -0.6978000    
 O    7.567300      -1.166900      0.3280000    
 O   -7.138800      -1.631300       1.242900    
 N    3.288300     -0.9352000     -0.2808000    
 N   -3.875100     -0.1889000      -1.207000    
 N    5.035500      0.3795000      0.1178000    
 N   -4.661600     -2.9300001E-02  0.8656000    
 N    5.405300      -1.993700     -8.1400000E-02
 N   -5.854600      -1.405000     -0.7129000    
 C    1.335100       2.226200     -0.2348000    
 C   -1.232600       2.072400      9.7000003E-03
 C    2.782300      0.3380000     -0.2206000    
 C   -3.006100      0.6431000     -0.5488000    
 C    3.892300       1.140000      2.9100001E-02
 C   -3.518700      0.7269000      0.7428000    
 C   9.4999997E-03   2.810700     -0.3690000    
 C    1.488400      0.8414000     -0.3590000    
 C   -1.851000       1.309100     -0.9599000    
 C    2.429800       3.056900      1.5600000E-02
 C   -1.690300       2.195400       1.303800    
 C    3.720000       2.529300      0.1509000    
 C   -2.852100       1.517600       1.694100    
 C    4.637300     -0.8584000     -7.2700001E-02
 C   -4.846100     -0.5639000     -0.3207000    
 C    6.784600      -2.084000      0.1130000    
 C   -6.912700      -1.878300      6.4800002E-02
 C    8.566100      -3.656600      0.2074000    
 C   -8.842400      -3.264600     -3.8199998E-02
 H   0.6649000      0.1670000     -0.5594000    
 H   -1.477800       1.226400      -1.973900    
 H    2.300200       4.132500      0.1159000    
 H   -1.166100       2.810200       2.030600    
 H    4.564100       3.182800      0.3467000    
 H   -3.224700       1.604700       2.709700    
 H    2.758500      -1.779900     -0.4493000    
 H   -3.809400     -0.4746000      -2.174800    
 H    4.913000      -2.867600     -0.2482000    
 H   -5.827600      -1.718200      -1.680000    
 H    8.885300      -3.338900       1.204500    
 H    8.725200      -4.734200      0.1148000    
 H    9.147800      -3.147700     -0.5670000    
 H   -9.513700      -2.473300      0.3085000    
 H   -9.377100      -3.887300     -0.7603000    
 H   -8.519700      -3.893400      0.7969000    


%chk=000128082-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128082

0 1
O -0.540735 2.235023 -2.720310
O 7.930654 -2.270920 1.217613
O -8.451776 -1.804378 0.744088
O 5.589731 -2.525290 1.274093
O -7.160116 -1.072917 -1.084472
N 4.209255 -0.528654 -0.025684
N -4.622224 -0.243489 -0.407992
N 5.543718 1.083776 -0.974494
N -4.140874 -0.398819 1.834347
N 6.639075 -0.715113 0.195590
N -6.334923 -1.089921 1.120374
C 1.369063 1.527549 -1.443733
C -1.089118 1.075364 -0.688318
C 3.331249 0.388364 -0.632174
C -3.301139 0.218696 -0.267312
C 4.187008 1.385907 -1.222330
C -3.020208 0.111981 1.143670
C -0.109141 1.648195 -1.673558
C 1.931659 0.440019 -0.722581
C -2.364698 0.703036 -1.188453
C 2.215593 2.510510 -2.052178
C -0.804472 0.983486 0.713286
C 3.614500 2.460648 -1.942954
C -1.757739 0.511918 1.635961
C 5.495045 -0.057453 -0.264565
C -5.055681 -0.588889 0.866494
C 6.625067 -1.892394 0.925785
C -7.300781 -1.300883 0.148759
C 8.064647 -3.523864 1.997024
C -9.573742 -2.077345 -0.184754
H 1.293754 -0.338218 -0.293719
H -2.570591 0.819223 -2.256880
H 1.728352 3.308239 -2.621345
H 0.167033 1.328971 1.079506
H 4.253530 3.220255 -2.401790
H -1.541563 0.463039 2.706906
H 4.016953 -1.386601 0.499618
H -5.208708 -0.331272 -1.242967
H 7.534513 -0.280315 -0.036949
H -6.550319 -1.307104 2.095715
H 7.643517 -4.371132 1.430933
H 9.146779 -3.643771 2.142144
H 7.541377 -3.430123 2.962882
H -9.276054 -2.834263 -0.929051
H -10.380402 -2.451474 0.460034
H -9.874567 -1.151197 -0.701660


