%chk=000130416.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130416

0 1
 O   -5.735000     -0.1874000      0.7884000    
 O   -6.349400       3.349300      0.8491000    
 O   -8.535500     -0.4989000      0.7676000    
 O  -0.5548000      -1.853600      -3.203500    
 N   -3.652600     -0.2247000     -0.3424000    
 N   -1.384400     -0.4364000      0.5097000    
 N   -3.263700     -0.9985000      -2.413000    
 N   0.8059000     -0.7211000       1.088800    
 N   0.1920000      -1.308900      -1.078000    
 N    1.632700      -3.304800       1.772500    
 C   -4.386600      0.3173000      0.8019000    
 C   -5.871800       2.119500      0.3436000    
 C   -4.463400       1.839500      0.8195000    
 C   -6.630600      0.9295000      0.9058000    
 C   -7.922500      0.6288000      0.1678000    
 C   -2.338300     -0.5370000     -0.4196000    
 C   -4.175100     -0.5234000      -1.580900    
 C   -2.110300      -1.006200      -1.680300    
 C  -0.1100000     -0.8443000      0.1207000    
 C  -0.7819000      -1.428400      -2.077200    
 C    2.187400      -1.048000       1.013700    
 C    3.132300     -9.2299998E-02  0.6029000    
 C    4.510500     -0.4243000      0.5299000    
 C    5.452800      0.5781000      0.1052000    
 C    2.576100      -2.338900       1.358000    
 C    4.981000       1.874000     -0.2305000    
 C    2.706200       1.194400      0.2643000    
 C    4.865700      -1.748800      0.8889000    
 C    3.915700      -2.689500       1.295900    
 C    3.616500       2.162800     -0.1462000    
 C    6.849100      0.3611000     -5.4000001E-03
 C    5.875000       2.874300     -0.6492000    
 C    7.727300       1.364800     -0.4230000    
 C    7.239900       2.621900     -0.7451000    
 H   -3.894300     -6.4800002E-02   1.703000    
 H   -5.899100       2.140200     -0.7522000    
 H   -4.333600       2.208900       1.844900    
 H   -3.702700       2.335800      0.2082000    
 H   -6.845900       1.063700       1.974000    
 H   -7.738700      0.3881000     -0.8843000    
 H   -8.618800       1.470400      0.2212000    
 H   -5.218300     -0.3717000      -1.822700    
 H   -7.275300       3.442600      0.5681000    
 H   -1.549800     -8.3999999E-02   1.446700    
 H   -7.905800      -1.238200      0.7151000    
 H   0.5251000     -0.3640000       1.997200    
 H    1.660800       1.490300      0.3108000    
 H    5.900400      -2.080300      0.8594000    
 H    4.243100      -3.691900       1.560200    
 H    3.241800       3.152900     -0.3999000    
 H    7.288300     -0.6041000      0.2335000    
 H    5.512200       3.867900     -0.9066000    
 H    8.791200       1.158300     -0.4947000    
 H   0.6534000      -3.059600       1.831000    
 H    1.935700      -4.237600       2.019100    
 H    7.918100       3.404900      -1.070100    


%chk=000130416-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130416

0 1
O -5.518501 0.560632 1.402805
O -6.429160 3.506466 -0.598464
O -8.276824 0.239403 2.195601
O -1.470331 -3.846329 -2.110714
N -3.873714 -0.380563 -0.059302
N -1.398723 -0.480364 0.347044
N -4.044622 -2.204587 -1.434456
N 0.916201 -0.811130 0.612925
N -0.306350 -2.332954 -0.748471
N 1.864991 -3.597801 0.328238
C -4.260043 0.829282 0.694594
C -6.043182 2.114138 -0.382259
C -4.512798 2.072751 -0.192482
C -6.569044 1.533734 0.955924
C -7.886075 0.758372 0.888560
C -2.597167 -0.913131 -0.203940
C -4.717184 -1.213786 -0.840641
C -2.701123 -2.029612 -1.050616
C -0.253171 -1.261017 0.028155
C -1.505225 -2.821940 -1.381093
C 2.293084 -1.172706 0.367732
C 3.232034 -0.082255 0.330482
C 4.652630 -0.339653 0.356360
C 5.598876 0.773659 0.379743
C 2.739509 -2.525300 0.322727
C 5.100337 2.128479 0.356207
C 2.782863 1.295192 0.270555
C 5.075922 -1.705101 0.351728
C 4.159519 -2.750406 0.309894
C 3.677667 2.350144 0.284503
C 7.017853 0.590345 0.430317
C 6.011861 3.229156 0.381958
C 7.895166 1.682562 0.456702
C 7.393867 3.016943 0.432400
H -3.469229 1.006620 1.449563
H -6.359878 1.473341 -1.232776
H -4.226963 2.992992 0.347910
H -3.960673 2.032237 -1.143702
H -6.633808 2.344885 1.707167
H -7.799466 -0.057577 0.137324
H -8.707398 1.433191 0.587803
H -5.792041 -1.065651 -0.878988
H -7.356743 3.555944 -0.939946
H -1.319303 0.394424 0.867561
H -7.538539 -0.330784 2.532497
H 0.814099 -0.061332 1.302595
H 1.715064 1.508678 0.149206
H 6.141705 -1.949733 0.365111
H 4.513730 -3.788059 0.284699
H 3.314324 3.383023 0.218798
H 7.438931 -0.419230 0.451573
H 5.608052 4.248742 0.359957
H 8.976470 1.509639 0.496372
H 0.930803 -3.425305 -0.108520
H 2.262297 -4.535358 0.272839
H 8.087426 3.864388 0.452038


