%chk=000045320.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045320

0 1
 O   -3.544800      0.2944000      0.1548000    
 O    1.196100     -0.4418000     -1.0800000E-02
 O    2.298400      -2.456400     -0.1702000    
 N   -7.229200      0.3324000      0.2524000    
 N    7.027600       1.858900      5.2000001E-02
 C   -5.865800      0.8614000      0.2680000    
 C   -4.851600     -0.2653000      0.1530000    
 C   -1.166900     -7.1999997E-02  5.4900002E-02
 C   -2.546500     -0.7115000      4.9300000E-02
 C  -5.8600001E-02  -1.108000     -3.6100000E-02
 C   -8.200300       1.418200      0.3807000    
 C   -7.469200     -0.4257000     -0.9750000    
 C    3.540000     -0.4245000     -4.7899999E-02
 C    2.298500      -1.238100     -8.5199997E-02
 C    4.680800     -0.9731000      0.5014000    
 C    3.514900      0.8548000     -0.5647000    
 C    5.847800       1.086800      1.9200001E-02
 C    5.847400     -0.2090000      0.5352000    
 C    4.681500       1.618700     -0.5309000    
 H   -5.680200       1.401700       1.205200    
 H   -5.702300       1.588700     -0.5389000    
 H   -4.959700     -0.8202000     -0.7837000    
 H   -4.955100     -0.9608000      0.9948000    
 H   -1.039700      0.5355000      0.9602000    
 H   -1.081900      0.6443000     -0.7723000    
 H   -2.638400      -1.404300      0.8943000    
 H   -2.690100      -1.273600     -0.8812000    
 H  -0.1207000      -1.799600      0.8123000    
 H  -0.1518000      -1.676000     -0.9692000    
 H   -9.220100       1.020300      0.4287000    
 H   -8.144400       2.124800     -0.4554000    
 H   -8.037900       1.972300       1.312000    
 H   -6.956400      -1.392500     -0.9655000    
 H   -7.184200      0.1301000      -1.875900    
 H   -8.533400     -0.6765000      -1.065600    
 H    4.692100      -1.979600      0.9091000    
 H    2.624100       1.286800      -1.010400    
 H    6.749700     -0.6345000      0.9669000    
 H    4.670100       2.626100     -0.9391000    
 H    7.027600       2.799300     -0.3202000    
 H    7.872900       1.474700      0.4525000    


%chk=000045320-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045320

0 1
O -3.577615 0.140496 0.014429
O 1.216592 -0.447083 0.088660
O 2.380723 -2.461835 0.272734
N -7.312429 0.421561 0.068275
N 7.176175 1.933864 -0.098655
C -5.888605 0.803144 -0.086713
C -4.943781 -0.393015 0.095140
C -1.190729 -0.214933 0.065223
C -2.558746 -0.903511 0.149031
C -0.046312 -1.226285 0.158619
C -8.169809 1.585612 0.373886
C -7.835601 -0.351483 -1.077591
C 3.611312 -0.362613 0.089206
C 2.399934 -1.206917 0.160392
C 4.884348 -0.993185 0.149488
C 3.554285 1.052702 -0.036260
C 6.008583 1.181224 -0.037729
C 6.065290 -0.241084 0.087740
C 4.729814 1.815343 -0.098927
H -5.637962 1.544127 0.693944
H -5.678708 1.284490 -1.074997
H -5.092138 -1.162534 -0.694598
H -5.124892 -0.867048 1.083464
H -1.106298 0.523292 0.882767
H -1.124484 0.339451 -0.888131
H -2.679066 -1.431893 1.122623
H -2.675473 -1.657281 -0.663921
H -0.061166 -1.794130 1.108357
H -0.060367 -1.956197 -0.672854
H -9.204047 1.244604 0.561231
H -8.202143 2.344176 -0.449658
H -7.805234 2.087704 1.287388
H -7.252599 -1.277542 -1.219118
H -7.812914 0.222218 -2.040100
H -8.882274 -0.642552 -0.877554
H 4.920028 -2.083648 0.245728
H 2.576969 1.541317 -0.083442
H 7.039571 -0.742421 0.136041
H 4.671394 2.906394 -0.195046
H 7.140980 2.945589 -0.185787
H 8.087690 1.487083 -0.054585


