%chk=000049313.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049313

0 1
 O   0.1349000     -0.5989000       1.967100    
 O  -4.9199998E-02   1.224000      -2.356500    
 O    3.395500       2.271400      0.4882000    
 N    1.814600      0.7572000       1.191100    
 N    1.722200       1.668300     -0.9685000    
 C   0.2427000     -0.2118000     -0.4243000    
 C   -1.270500     -0.4695000     -0.4685000    
 C   -2.119800      0.7077000      5.5000000E-02
 C   0.9845000      -1.442800     -0.9751000    
 C   -3.614700      0.3568000     -9.7800002E-02
 C   0.6875000     -3.3399999E-02   1.023900    
 C   0.5868000      0.9618000      -1.336000    
 C   -1.768100       1.054600       1.504900    
 C   0.6210000      -2.700800     -0.2378000    
 C   -4.556500       1.473100      0.3320000    
 C    2.391100       1.599300      0.2478000    
 C  -0.5185000      -3.513200     -0.7825000    
 C    1.316300      -3.103900      0.8370000    
 H   -1.548400      -1.329400      0.1511000    
 H   -1.584300     -0.6913000      -1.497200    
 H   -1.931500       1.598000     -0.5572000    
 H    2.071600      -1.287700     -0.9173000    
 H   0.7791000      -1.575900      -2.046300    
 H   -3.818200      0.1252000      -1.150800    
 H   -3.852000     -0.5478000      0.4754000    
 H   -1.909600      0.2128000       2.187400    
 H   -2.468400       1.815600       1.870900    
 H  -0.8168000       1.574000       1.618300    
 H    2.215300      0.7845000       2.124600    
 H    2.055100       2.367200      -1.626900    
 H   -4.279500       2.425900     -0.1295000    
 H   -5.579700       1.234300      2.2900000E-02
 H   -4.571800       1.597700       1.418400    
 H   -1.048200      -4.042800      1.6600000E-02
 H   -1.254200      -2.924000      -1.332000    
 H  -0.1276000      -4.258200      -1.484600    
 H    2.160900      -2.537900       1.215300    
 H    1.061900      -4.022000       1.356300    


%chk=000049313-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049313

0 1
O 0.146887 -1.103267 2.037770
O 0.063274 1.278024 -2.178718
O 3.323051 2.127376 1.024587
N 1.763507 0.437752 1.455841
N 1.674005 1.655508 -0.565190
C 0.113911 -0.293719 -0.287456
C -1.440197 -0.424619 -0.330574
C -2.271779 0.854413 -0.024949
C 0.832848 -1.496026 -1.085142
C -3.779552 0.478539 -0.102846
C 0.631753 -0.349769 1.156960
C 0.570597 0.943452 -1.077411
C -1.918400 1.502469 1.335177
C 0.912083 -2.859511 -0.409869
C -4.740145 1.687575 -0.084338
C 2.329472 1.449648 0.663016
C -0.371506 -3.625114 -0.144917
C 2.130588 -3.385368 -0.108055
H -1.724521 -1.212317 0.389558
H -1.717204 -0.776991 -1.341577
H -2.074370 1.593593 -0.827750
H 1.862725 -1.171835 -1.327903
H 0.279537 -1.568432 -2.041822
H -3.950497 -0.096592 -1.036002
H -4.024736 -0.205852 0.736101
H -2.048706 0.784163 2.166062
H -2.560949 2.378731 1.531350
H -0.873699 1.867353 1.366305
H 2.180296 0.314730 2.384553
H 2.040068 2.421540 -1.140263
H -4.498885 2.395600 -0.899561
H -5.787496 1.361318 -0.220722
H -4.688585 2.240940 0.870581
H -0.160081 -4.685213 0.075744
H -0.902162 -3.200554 0.726807
H -1.058805 -3.579794 -1.010845
H 3.061857 -2.835564 -0.291134
H 2.229312 -4.384086 0.332032


