%chk=000063174.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063174

0 1
 O    4.597600       1.559000      0.3882000    
 O   -1.173500       5.223900      0.9674000    
 O  -0.8215000       5.394300      -1.192700    
 N    2.661700      0.2510000      8.4799998E-02
 N    2.903600      -2.107100     -0.2141000    
 N   -3.432500      -1.976500     -7.9599999E-02
 N  -0.6417000       4.816500     -9.3500003E-02
 C    2.153900      -1.053300     -0.1011000    
 C    4.896100     -0.7352000      0.1438000    
 C    4.046500      0.4706000      0.2405000    
 C    1.817700       1.417200      3.9299998E-02
 C    4.290700      -1.966400     -0.1081000    
 C   0.6908000      -1.294600     -9.5299996E-02
 C    6.286900     -0.6370000      0.2721000    
 C    1.222100       1.878300       1.206100    
 C    1.610000       2.066100      -1.171000    
 C    5.095900      -3.105500     -0.2293000    
 C   3.4400001E-02  -1.519200       1.109800    
 C  -1.1700000E-02  -1.295100      -1.295200    
 C    7.076900      -1.779200      0.1499000    
 C    6.482400      -3.013000     -0.1020000    
 C   0.4048000       3.007700       1.161900    
 C   0.7926000       3.195600      -1.215200    
 C   -1.341700      -1.747000       1.115000    
 C   -1.387900      -1.522900      -1.290100    
 C   0.1899000       3.666300     -4.8700001E-02
 C   -2.052800      -1.748900     -8.5000001E-02
 C   -4.186500     -0.9259000      3.2299999E-02
 C   -5.656800      -1.008300      5.1800001E-02
 C   -6.401700      0.1536000      0.1753000    
 C   -6.268000      -2.247500     -5.5399999E-02
 C   -7.794200      7.4500002E-02  0.1920000    
 C   -7.660500      -2.326500     -3.8800001E-02
 C   -8.423600      -1.165600      8.4799998E-02
 H    6.771800      0.3162000      0.4640000    
 H    1.386000       1.372900       2.153900    
 H    2.075000       1.705300      -2.084400    
 H    4.644600      -4.076300     -0.4202000    
 H   0.5803000      -1.520000       2.049500    
 H   0.4980000      -1.120200      -2.238900    
 H    8.156000      -1.706400      0.2490000    
 H    7.096900      -3.903400     -0.1974000    
 H  -4.7800001E-02   3.346000       2.090600    
 H   0.6478000       3.682700      -2.176100    
 H   -1.850600      -1.922400       2.059300    
 H   -1.933000      -1.522700      -2.230400    
 H   -3.746800      8.6199999E-02  0.1183000    
 H   -5.922900       1.125300      0.2592000    
 H   -5.697700      -3.166700     -0.1530000    
 H   -8.388500      0.9785000      0.2882000    
 H   -8.150900      -3.292000     -0.1223000    
 H   -9.507800      -1.227200      9.7700000E-02


%chk=000063174-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063174

0 1
O 4.830453 1.347049 -0.919008
O -0.479930 5.853041 0.292876
O 0.416928 6.155064 -1.783351
N 2.768234 0.338532 -0.344329
N 2.675223 -1.932194 0.475324
N -3.659191 -1.286645 -0.424118
N 0.236865 5.462083 -0.708412
C 2.058238 -0.837229 0.048111
C 4.868228 -0.903030 -0.020527
C 4.217912 0.332505 -0.483174
C 2.111491 1.626932 -0.456354
C 4.074551 -1.975303 0.495735
C 0.575437 -0.886636 -0.064199
C 6.283592 -1.007380 -0.045428
C 1.336498 2.105232 0.629436
C 2.291394 2.420432 -1.615109
C 4.720246 -3.140365 0.996463
C -0.142698 -1.673934 0.876487
C -0.142968 -0.275133 -1.130171
C 6.908232 -2.163529 0.450551
C 6.121592 -3.228922 0.975519
C 0.714235 3.363176 0.550968
C 1.676366 3.682765 -1.701590
C -1.538478 -1.803266 0.794429
C -1.534690 -0.427522 -1.235036
C 0.890989 4.134321 -0.618799
C -2.261603 -1.162832 -0.257025
C -4.481878 -1.284301 0.597023
C -5.927366 -1.511933 0.445431
C -6.763124 -1.474261 1.595601
C -6.507050 -1.770136 -0.829316
C -8.152145 -1.691415 1.477454
C -7.893137 -1.985701 -0.944355
C -8.719981 -1.947393 0.207427
H 6.859758 -0.167742 -0.447193
H 1.225220 1.492206 1.528322
H 2.913892 2.054076 -2.433395
H 4.095272 -3.952619 1.379122
H 0.422208 -2.191417 1.657713
H 0.387677 0.292342 -1.900062
H 7.999761 -2.247471 0.435334
H 6.615134 -4.128087 1.360192
H 0.108696 3.757089 1.370786
H 1.793865 4.317447 -2.583291
H -2.072732 -2.431351 1.516170
H -2.088022 0.017789 -2.067169
H -4.128996 -1.084003 1.631880
H -6.320036 -1.273055 2.579356
H -5.848796 -1.793225 -1.703710
H -8.789875 -1.660337 2.367417
H -8.336482 -2.182915 -1.926567
H -9.798709 -2.115098 0.113463


