%chk=000064443.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064443

0 1
 O   3.1700000E-02  0.6819000      0.8099000    
 O  -0.2983000      -1.293700     -0.3246000    
 N    5.264200     -0.9372000     -0.7177000    
 C    3.485500     -0.8319000       1.010400    
 C    3.249500      0.4465000      -1.152800    
 C    1.431500      0.5750000      0.5935000    
 C    3.648000       1.691900       1.012700    
 C    3.820100     -0.8389000     -0.5021000    
 C    1.966100     -0.7140000       1.241000    
 C    1.730600      0.5571000     -0.9163000    
 C    4.170300      0.3929000       1.653200    
 C    3.933900       1.666200     -0.5000000    
 C    2.130500       1.786800       1.235100    
 C    5.567300     -0.9429000      -2.148100    
 C    5.794900      -2.139700     -7.7100001E-02
 C  -0.7370000     -0.3318000      0.2933000    
 C   -2.203500     -0.1148000      0.6531000    
 C   -2.768200       1.211800      0.1627000    
 C   -3.091400      -1.290500      0.2656000    
 C   -3.777000       1.814200      0.8856000    
 C   -3.670300      -1.303000     -0.9863000    
 C   -2.253000       1.770200     -0.9888000    
 C   -3.288100      -2.305500       1.178400    
 C   -4.294100       3.029400      0.4366000    
 C   -4.483100      -2.379400      -1.341400    
 C   -2.770200       2.985400      -1.437600    
 C   -4.100900      -3.382000      0.8232000    
 C   -3.790700       3.615000     -0.7249000    
 C   -4.698300      -3.418900     -0.4367000    
 H    3.812800      -1.748100       1.512000    
 H    3.405800      0.4672000      -2.235900    
 H    4.142400       2.556300       1.469600    
 H    3.314600      -1.703500     -0.9570000    
 H    1.744800     -0.7058000       2.316900    
 H    1.509500      -1.631900      0.8652000    
 H    1.257100     -0.2608000      -1.462900    
 H    1.340600       1.473500      -1.379800    
 H    5.261000      0.3406000       1.561400    
 H    3.958500      0.4062000       2.730200    
 H    3.553400       2.587700     -0.9593000    
 H    5.015200       1.664700     -0.6785000    
 H    1.900700       1.832000       2.307600    
 H    1.736800       2.718800      0.8090000    
 H    5.410200      3.6100000E-02  -2.610000    
 H    4.991600      -1.697800      -2.695900    
 H    6.630800      -1.156100      -2.312500    
 H    5.814300      -2.056500       1.013400    
 H    6.844500      -2.290800     -0.3585000    
 H    5.244900      -3.044300     -0.3617000    
 H   -2.200800     -6.3800000E-02   1.753800    
 H   -4.175200       1.364800       1.790200    
 H   -3.507900     -0.5269000      -1.725100    
 H   -1.471600       1.294200      -1.572500    
 H   -2.825000      -2.287200       2.160300    
 H   -5.089000       3.519300      0.9911000    
 H   -4.944100      -2.411500      -2.324300    
 H   -2.381100       3.439600      -2.344200    
 H   -4.267700      -4.192100       1.527100    
 H   -4.194000       4.560600      -1.075000    
 H   -5.329800      -4.258000     -0.7138000    


%chk=000064443-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064443

0 1
O 0.029072 0.612842 0.827582
O -0.546627 -0.191008 -1.299441
N 5.453003 -0.809908 -0.822375
C 3.354743 -1.346802 0.494439
C 3.664516 0.955385 -0.497279
C 1.522325 0.364909 0.679434
C 3.642176 0.656622 2.015344
C 3.983575 -0.561174 -0.701861
C 1.813072 -1.138482 0.495461
C 2.121842 1.164990 -0.495542
C 3.960266 -0.852292 1.834060
C 4.272335 1.452026 0.840266
C 2.101392 0.864652 2.018361
C 6.082817 -0.031300 -1.913115
C 5.787888 -2.246236 -0.951868
C -0.864446 0.276965 -0.179640
C -2.302004 0.525428 0.312906
C -3.099928 1.484933 -0.581351
C -2.987182 -0.843580 0.506430
C -4.074465 2.310511 0.037353
C -3.549716 -1.553935 -0.582765
C -2.934767 1.562327 -1.987714
C -3.026677 -1.422033 1.799715
C -4.868677 3.192907 -0.726320
C -4.144427 -2.818503 -0.378442
C -3.726483 2.450203 -2.752076
C -3.622526 -2.686842 2.005512
C -4.696495 3.266686 -2.128267
C -4.184025 -3.389774 0.915119
H 3.539810 -2.429555 0.372725
H 4.074202 1.542007 -1.339556
H 4.057659 1.014964 2.976955
H 3.467309 -0.897359 -1.643456
H 1.359101 -1.710827 1.327443
H 1.370568 -1.499241 -0.449201
H 1.682488 0.826554 -1.449719
H 1.890912 2.240775 -0.373275
H 5.055611 -1.003678 1.827462
H 3.537714 -1.437539 2.675400
H 4.078127 2.536690 0.961624
H 5.367506 1.299239 0.831949
H 1.633278 0.306003 2.851281
H 1.850265 1.934503 2.149859
H 6.047172 1.049578 -1.697992
H 5.604867 -0.203002 -2.911293
H 7.146840 -0.316141 -1.991645
H 5.526825 -2.795364 -0.032211
H 6.877333 -2.350334 -1.099743
H 5.273236 -2.745023 -1.812548
H -2.203306 0.988754 1.309404
H -4.214321 2.256551 1.124282
H -3.526373 -1.115540 -1.585494
H -2.180398 0.936574 -2.475729
H -2.587987 -0.880506 2.647054
H -5.615926 3.822411 -0.229863
H -4.578426 -3.358103 -1.227912
H -3.584050 2.502281 -3.837638
H -3.650117 -3.120326 3.011732
H -5.308808 3.952801 -2.724296
H -4.648389 -4.370062 1.071275


