%chk=000037190.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037190

0 1
 O   -1.470400     -4.7400001E-02 -0.6653000    
 O   -1.829300       2.580500      0.1336000    
 O   0.3721000       4.124000      0.7987000    
 O    4.285100       1.136100     -0.3507000    
 N    3.411200     -0.9731000      3.3399999E-02
 N    4.627900      -1.559100     -4.1600000E-02
 N    3.496200      -3.551000      0.3577000    
 N    5.755900      -3.689300      9.5799997E-02
 C  -0.3985000      0.7253000     -0.3337000    
 C  -0.5754000       2.049100      6.8400003E-02
 C    1.961300      0.9751000     -6.2399998E-02
 C   0.5307000       2.829700      0.4041000    
 C   0.8845000      0.1819000     -0.3996000    
 C   -1.677200      -1.232200      0.1012000    
 C    1.813700       2.286600      0.3380000    
 C   -3.142800      -1.553600      0.1205000    
 C    3.328200      0.3965000     -0.1350000    
 C   -3.948700      -1.032900       1.126800    
 C   -3.681700      -2.369600     -0.8678000    
 C   -5.311100      -1.331900       1.144900    
 C   -5.044000      -2.668600     -0.8498000    
 C   -5.858600      -2.149800      0.1567000    
 C   -2.583700       2.609000      -1.075700    
 C   0.3951000       5.120000     -0.2218000    
 C    4.659600      -2.855300      0.1236000    
 H   0.9996000     -0.8366000     -0.7566000    
 H   -1.112900      -2.057500     -0.3503000    
 H   -1.311400      -1.110300       1.130100    
 H    2.669500       2.899800      0.6066000    
 H   -3.532800     -0.3923000       1.899600    
 H   -3.056800      -2.777300      -1.657600    
 H   -5.945700     -0.9272000       1.927900    
 H   -5.470700      -3.304900      -1.619700    
 H   -6.919400      -2.382300      0.1705000    
 H   -3.246500       1.740500      -1.124500    
 H   -3.206000       3.508700      -1.063100    
 H   -1.942600       2.650200      -1.963200    
 H    2.611300      -1.528300      0.2913000    
 H    1.361500       5.119600     -0.7360000    
 H   0.2502000       6.096100      0.2491000    
 H  -0.4131000       4.955600     -0.9412000    
 H    3.537800      -4.555500      0.4999000    
 H    2.563300      -3.165500      0.3705000    
 H    6.687500      -3.323200     -6.7900002E-02
 H    5.665700      -4.689600      0.2360000    


%chk=000037190-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037190

0 1
O -1.831738 0.195030 -0.143446
O -1.549012 2.936413 0.029937
O 1.173841 4.066235 0.047844
O 4.300668 0.141878 -0.350930
N 3.048932 -1.596786 0.634096
N 4.010941 -2.573319 1.004534
N 5.405044 -2.215033 -0.974245
N 5.747353 -4.018880 0.513719
C -0.516289 0.688734 -0.089893
C -0.408934 2.114910 -0.064384
C 1.916377 0.468672 0.022658
C 0.890520 2.699470 -0.015271
C 0.629842 -0.132234 -0.057213
C -2.027133 -1.257347 0.026467
C 2.037470 1.869602 0.031895
C -3.513924 -1.522642 0.147835
C 3.185732 -0.336231 0.074012
C -4.346843 -0.649050 0.891084
C -4.076470 -2.677992 -0.447092
C -5.722429 -0.932382 1.037668
C -5.451521 -2.967089 -0.291466
C -6.278534 -2.094160 0.451526
C -2.509572 2.885480 -1.096231
C 0.223492 5.072227 -0.456866
C 5.018126 -2.873393 0.173829
H 0.531866 -1.217028 -0.155978
H -1.599920 -1.803290 -0.838875
H -1.488371 -1.577658 0.944123
H 3.027758 2.330711 0.061585
H -3.913152 0.253706 1.333987
H -3.442567 -3.353362 -1.035422
H -6.360094 -0.249666 1.610426
H -5.875974 -3.864505 -0.755098
H -7.345525 -2.313961 0.568963
H -2.939958 1.876281 -1.195664
H -3.292585 3.614613 -0.836905
H -2.012788 3.184084 -2.040617
H 2.168831 -1.781471 1.119233
H -0.102261 4.829569 -1.486625
H 0.801145 6.009830 -0.462139
H -0.656426 5.155584 0.199137
H 6.019711 -2.672503 -1.643861
H 5.173234 -1.204341 -1.034223
H 5.387969 -4.551057 1.304487
H 6.751769 -4.037651 0.344801


