%chk=000063353.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063353

0 1
 O    1.267200      -1.625300     -0.5851000    
 O  -0.8572000      -2.400500     -0.9120000    
 O   -4.178100       2.843600     -0.4648000    
 N    5.765000     -1.4200000E-02  9.6900001E-02
 N   -2.960700     -0.9209000      0.1623000    
 N   -2.444200       1.354100     -0.3073000    
 C    4.371800      0.2047000      0.1284000    
 C    1.606800      0.6518000      0.1964000    
 C    6.296700      -1.300500     -0.3073000    
 C    6.682200       1.039800      0.4818000    
 C    2.125600     -0.5755000     -0.2035000    
 C    3.497800     -0.8145000     -0.2431000    
 C    3.869700       1.443500      0.5324000    
 C  -0.6469000     -0.1672000     -0.1490000    
 C    2.490400       1.668500      0.5670000    
 C   0.1638000      0.8337000      0.2147000    
 C   -2.086800      0.1129000     -9.7599998E-02
 C    6.263200      -2.294100      0.8415000    
 C    6.906500       2.016500     -0.6602000    
 C  -0.1175000      -1.481200     -0.5778000    
 C   -4.333200     -0.6691000      0.2147000    
 C   -4.791100      0.6366000      1.9999999E-04
 C   -3.783900       1.697100     -0.2749000    
 C   -5.257600      -1.684000      0.4755000    
 C   -6.156800      0.9300000      4.4599999E-02
 C   -6.622500      -1.394600      0.5207000    
 C   -7.070300     -9.1100000E-02  0.3057000    
 H    7.344300      -1.182200     -0.6148000    
 H    5.803700      -1.699300      -1.201200    
 H    7.655400      0.6015000      0.7404000    
 H    6.372900       1.553900       1.398800    
 H    3.821500      -1.797100     -0.5661000    
 H    4.496800       2.275100      0.8341000    
 H    2.119600       2.640000      0.8848000    
 H  -0.1960000       1.801400      0.5499000    
 H    6.837500      -1.920100       1.696100    
 H    5.247700      -2.497400       1.192500    
 H    6.706400      -3.245100      0.5293000    
 H    7.304500       1.499800      -1.540500    
 H    5.988700       2.525900     -0.9667000    
 H    7.631200       2.781600     -0.3637000    
 H   -2.641900      -1.868300      0.3281000    
 H   -4.923500      -2.704400      0.6450000    
 H   -6.525300       1.938400     -0.1200000    
 H   -7.337600      -2.186700      0.7238000    
 H   -8.133400      0.1291000      0.3419000    


%chk=000063353-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063353

0 1
O 1.203801 -1.593609 -0.132619
O -0.900545 -2.479246 -0.233893
O -4.364466 2.976822 0.530311
N 5.776292 -0.019699 0.066989
N -3.042215 -0.867798 0.006803
N -2.582890 1.472391 0.319866
C 4.413524 0.240135 0.115539
C 1.581622 0.808017 0.211925
C 6.299349 -1.370362 -0.244269
C 6.787229 1.030499 0.330335
C 2.089216 -0.515682 0.013642
C 3.453595 -0.811961 -0.032259
C 3.916279 1.584769 0.314765
C -0.721711 -0.065354 0.100695
C 2.549708 1.848329 0.361891
C 0.171010 0.999128 0.246968
C -2.181764 0.210363 0.147265
C 6.425884 -2.282807 0.997152
C 7.170867 1.845737 -0.925823
C -0.221831 -1.423627 -0.093630
C -4.429930 -0.684255 0.041490
C -4.925221 0.641596 0.223536
C -3.967589 1.783335 0.369497
C -5.322045 -1.779703 -0.099286
C -6.325857 0.852015 0.262036
C -6.707423 -1.544827 -0.057120
C -7.215140 -0.228838 0.123634
H 7.292872 -1.241383 -0.711949
H 5.658131 -1.844015 -1.009385
H 7.686273 0.529194 0.733811
H 6.425613 1.699518 1.131656
H 3.744684 -1.855381 -0.163564
H 4.615315 2.417900 0.415600
H 2.198519 2.875765 0.508887
H -0.271881 1.991828 0.391348
H 7.106129 -1.838770 1.746110
H 5.446840 -2.442150 1.480757
H 6.832826 -3.268651 0.707242
H 7.580535 1.188146 -1.713429
H 6.296429 2.371662 -1.346345
H 7.940502 2.598007 -0.673760
H -2.606313 -1.799647 -0.123246
H -4.928227 -2.792841 -0.238296
H -6.677941 1.879385 0.401878
H -7.400831 -2.386191 -0.165015
H -8.296824 -0.061545 0.154158


