%chk=000063283.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063283

0 1
 I   -5.922800       3.814800     -0.4118000    
 O    1.590300      0.5859000      0.1272000    
 O   -2.823600      -2.345500      0.8816000    
 O    2.568100       3.133900      0.6527000    
 N  -0.9948000      -1.218900     -8.5500002E-02
 N   -1.283200       1.029400     -0.8084000    
 N  -0.1699000      -3.231800      -1.079200    
 C  -0.5386000     -1.9500000E-02 -0.6375000    
 C   -3.161700     -0.1362000      0.2337000    
 C   -2.615400      0.9881000     -0.3853000    
 C   -2.315500      -1.336900      0.3973000    
 C   0.9183000      0.1365000      -1.023200    
 C  -0.1693000      -2.393700     -2.2399999E-02
 C   -4.492600     -0.1368000      0.6681000    
 C   -3.419100       2.119800     -0.5660000    
 C   -5.282100      0.9971000      0.4825000    
 C   -4.746600       2.124700     -0.1352000    
 C   0.5749000      -2.582500       1.127400    
 C    2.935700      0.8573000      9.4999997E-03
 C    3.411300       2.133000      0.2747000    
 C    1.377800      -3.715600       1.197800    
 C    3.794500     -0.1618000     -0.3759000    
 C   0.6224000      -4.322200     -0.9743000    
 C    1.407600      -4.607100      0.1312000    
 C    4.775600       2.395700      0.1516000    
 C    5.158900      0.1009000     -0.4990000    
 C    5.649500       1.379700     -0.2352000    
 C    3.150100       4.411600      0.9035000    
 H   0.9990000      0.8855000      -1.820700    
 H    1.324700     -0.8080000      -1.393200    
 H   -4.930500      -1.007300       1.148400    
 H   -2.992400       2.999100      -1.045100    
 H   -6.313300      0.9790000      0.8259000    
 H   0.5457000      -1.880300       1.953800    
 H    1.979700      -3.903000       2.081900    
 H    3.431700      -1.167000     -0.5686000    
 H   0.6105000      -4.985600      -1.832800    
 H    5.227400       3.363500      0.3402000    
 H    2.026300      -5.496500      0.1639000    
 H    5.839800     -0.6912000     -0.7963000    
 H    6.712200       1.582700     -0.3304000    
 H    3.849300       4.378400       1.746000    
 H    2.336400       5.085100       1.192400    
 H    3.604800       4.832300      1.9999999E-04


%chk=000063283-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063283

0 1
I -7.074023 2.490037 -2.014614
O 1.449308 0.822825 -0.528765
O -2.388178 -1.424184 1.851863
O 3.040958 1.462575 1.484722
N -0.988205 -0.598071 0.135982
N -1.813312 0.916253 -1.554003
N 0.627018 -2.297191 -0.299350
C -0.829334 0.232168 -0.992833
C -3.354323 0.034981 0.173117
C -3.100492 0.807449 -1.001607
C -2.260111 -0.714968 0.814291
C 0.546503 0.379503 -1.605179
C 0.099827 -1.442469 0.612589
C -4.664302 -0.024429 0.712716
C -4.167720 1.511628 -1.626596
C -5.719414 0.668047 0.096969
C -5.454309 1.431634 -1.074306
C 0.513176 -1.372438 1.959601
C 2.816916 0.895858 -0.835678
C 3.676355 1.247619 0.253995
C 1.541727 -2.241192 2.377312
C 3.366910 0.661768 -2.113708
C 1.631101 -3.122134 0.115995
C 2.115272 -3.133726 1.441888
C 5.067488 1.352187 0.034447
C 4.764026 0.767785 -2.321937
C 5.610911 1.111011 -1.251696
C 3.887340 1.868645 2.608504
H 0.470436 1.141852 -2.399512
H 0.893578 -0.586978 -2.017798
H -4.831327 -0.624543 1.612763
H -3.945745 2.098466 -2.521005
H -6.729892 0.620436 0.511054
H 0.046350 -0.663165 2.644589
H 1.891415 -2.218047 3.414285
H 2.717050 0.405030 -2.955216
H 2.043645 -3.792794 -0.645410
H 5.735204 1.620869 0.858394
H 2.916329 -3.821971 1.728043
H 5.176334 0.584849 -3.319516
H 6.691615 1.196631 -1.405796
H 4.634260 1.088845 2.856514
H 3.194499 2.001658 3.452286
H 4.406235 2.824291 2.398102


