%chk=000124163.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124163

0 1
 O   -1.867200      0.8420000       1.096600    
 O  -0.8042000       2.615600      -1.102900    
 O   -1.783100       3.221700      0.9450000    
 O   0.9439000     -0.1248000      0.5314000    
 O   -1.303600      -2.323800     -0.6742000    
 O   -2.926500      -3.275000      0.7337000    
 N    5.044200     -0.3318000     -0.4606000    
 C   -1.426300     -3.8000001E-03  1.7000001E-02
 C  -0.1062000       1.942700     -5.5399999E-02
 C  -1.6300000E-02  0.4635000     -0.3356000    
 C   -1.043400       2.019700       1.125500    
 C   -1.546000      -1.457300      0.4377000    
 C   -1.672300       3.546800     -0.4459000    
 C   -2.932600      -1.854400      0.8825000    
 C   -2.037400      -3.521000     -0.3684000    
 C   -1.086100       4.948500     -0.5706000    
 C   -3.050400       3.467400      -1.088400    
 C    2.262500      0.3011000      0.2154000    
 C   -2.851500      -3.917500      -1.593500    
 C   -1.062500      -4.622200      2.8999999E-02
 C    3.236100     -0.3469000       1.190600    
 C    4.676700      5.8200002E-02  0.8953000    
 C    4.958900      -1.784500     -0.6203000    
 C    6.393300      0.1358000     -0.7840000    
 H   -2.089400      0.1951000     -0.8354000    
 H   0.8110000       2.501600      0.1286000    
 H   0.2171000      0.2195000      -1.378400    
 H  -0.5236000       2.038500       2.088200    
 H  -0.8344000      -1.710300       1.233700    
 H   -3.714100      -1.449000      0.2300000    
 H   -3.152300      -1.582100       1.918200    
 H   -1.718400       5.689900     -7.0799999E-02
 H  -0.9568000       5.233400      -1.619900    
 H  -9.8200001E-02   4.996600     -9.8099999E-02
 H   -3.462500       2.456800     -0.9891000    
 H   -3.004600       3.693400      -2.158900    
 H   -3.755300       4.151700     -0.6050000    
 H    2.482000      4.9000001E-03 -0.8161000    
 H    2.382900       1.382600      0.2987000    
 H   -2.205300      -4.099700      -2.458500    
 H   -3.454000      -4.810800      -1.398500    
 H   -3.543700      -3.114400      -1.871400    
 H  -0.3433000      -4.824300     -0.7715000    
 H  -0.4870000      -4.325500      0.9133000    
 H   -1.589600      -5.547800      0.2828000    
 H    2.980900     -1.4600000E-02   2.205900    
 H    3.094200      -1.433100       1.219500    
 H    5.343800     -0.3948000       1.640100    
 H    4.763400       1.146500       1.007900    
 H    3.925000      -2.142200     -0.6113000    
 H    5.531000      -2.323100      0.1441000    
 H    5.352200      -2.082000      -1.600200    
 H    6.453200       1.226600     -0.6990000    
 H    7.152000     -0.3042000     -0.1265000    
 H    6.648800     -0.1106000      -1.820700    


%chk=000124163-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124163

0 1
O -1.857843 1.001501 1.282989
O -0.814612 2.890072 -1.035865
O -2.106342 3.408713 0.886716
O 1.063094 0.236984 0.794078
O -0.976344 -2.148767 -0.499322
O -2.613803 -3.247191 0.820394
N 5.168811 -0.703671 -0.418611
C -1.310179 0.159320 0.178581
C -0.149060 2.270308 0.127187
C 0.073937 0.765455 -0.144089
C -1.214571 2.323264 1.254999
C -1.307128 -1.286791 0.668057
C -2.036145 3.628979 -0.584196
C -2.691347 -1.801201 1.110697
C -1.824651 -3.383454 -0.425337
C -1.849666 5.127846 -0.822520
C -3.260745 3.030304 -1.282006
C 2.452980 0.334815 0.307449
C -2.736956 -3.406001 -1.659423
C -0.934235 -4.616413 -0.276628
C 3.326439 -0.439509 1.297932
C 4.829920 -0.317877 0.974262
C 4.904664 -2.128670 -0.708863
C 6.553638 -0.324950 -0.766906
H -1.960214 0.245504 -0.714970
H 0.783993 2.807031 0.371139
H 0.371208 0.577049 -1.192852
H -0.867661 2.541473 2.274651
H -0.545688 -1.421458 1.454838
H -3.508563 -1.319976 0.535824
H -2.879281 -1.693212 2.187851
H -2.703636 5.686527 -0.402237
H -1.785421 5.334609 -1.904521
H -0.923807 5.476581 -0.336508
H -3.397177 1.979288 -0.981214
H -3.134411 3.081944 -2.377230
H -4.166909 3.593349 -0.999840
H 2.529632 -0.094770 -0.711126
H 2.772828 1.398914 0.254783
H -2.129824 -3.356281 -2.579851
H -3.335979 -4.333019 -1.674861
H -3.422326 -2.541194 -1.647173
H -0.317957 -4.753908 -1.181502
H -0.271349 -4.492387 0.594834
H -1.555220 -5.516743 -0.126756
H 3.152802 -0.043846 2.316734
H 3.003746 -1.496647 1.312513
H 5.407558 -0.923456 1.722013
H 5.143525 0.736528 1.106995
H 3.835507 -2.361757 -0.567009
H 5.499207 -2.825421 -0.063562
H 5.156121 -2.340058 -1.763370
H 6.692715 0.760582 -0.615938
H 7.326939 -0.860324 -0.158088
H 6.744786 -0.549388 -1.831541


