%chk=000046087.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046087

2 1
 O  -0.1608000      0.7693000     -0.6106000    
 N    2.644900     -0.2752000     -5.0799999E-02
 N   -3.618600     -0.1348000      0.4628000    
 C    2.218700       1.027600     -0.6198000    
 C    3.939900     -0.7628000     -0.7150000    
 C    1.565200      -1.344300     -0.2686000    
 C    2.899000     -0.1541000       1.458100    
 C   0.9025000       1.490800     -3.8999999E-03
 C   -2.397000     -8.6800002E-02 -0.4437000    
 C   -1.292500      0.6897000      0.2457000    
 C    5.043700      0.2370000     -0.4479000    
 C    1.294600      -1.484400      -1.750600    
 C    3.368100      -1.489300       1.993100    
 C   0.6436000       2.986200     -0.1332000    
 C   -4.537200      -1.263500      1.7200001E-02
 C   -3.175800     -0.3782000       1.898400    
 C   -4.364300       1.189200      0.3794000    
 C   -4.974000      -1.016200      -1.410300    
 H    2.975200       1.771100     -0.3507000    
 H    2.185000      0.9758000      -1.712300    
 H    4.181900      -1.781600     -0.4029000    
 H    3.776400     -0.7802000      -1.797400    
 H    1.962500      -2.310900      5.4400001E-02
 H   0.6911000      -1.141000      0.3482000    
 H    3.590900      0.6675000       1.660700    
 H    1.958200      6.3800000E-02   1.967300    
 H   0.8901000       1.322400       1.073100    
 H   -2.659100      0.3807000      -1.399100    
 H   -2.065500      -1.114100     -0.6383000    
 H  -0.9576000      0.1915000       1.159500    
 H   -1.635400       1.697300      0.4925000    
 H    5.948300     -0.1160000     -0.9598000    
 H    5.325600      0.3215000      0.6037000    
 H    4.855600       1.232100     -0.8567000    
 H   0.4626000      -2.189200      -1.875500    
 H    2.130300      -1.934800      -2.294000    
 H   0.9894000     -0.5788000      -2.274800    
 H    3.529300      -1.370500       3.073100    
 H    4.333800      -1.821800       1.607700    
 H    2.637800      -2.296900       1.914000    
 H   0.4957000       3.260700      -1.183500    
 H  -0.2544000       3.302100      0.4051000    
 H    1.484500       3.565600      0.2615000    
 H   -3.984300      -2.205200      0.1088000    
 H   -5.398800      -1.289000      0.6938000    
 H   -2.514300      -1.249800       1.924600    
 H   -2.707700      0.5174000       2.316500    
 H   -4.073400     -0.5918000       2.489200    
 H   -4.474300       1.495800     -0.6640000    
 H   -5.341200       1.068600      0.8579000    
 H   -3.795300       1.954100      0.9157000    
 H   -5.574700     -0.1113000      -1.531400    
 H   -4.147900     -0.9989000      -2.125500    
 H   -5.620600      -1.845800      -1.721400    


%chk=000046087-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046087

2 1
O -0.271861 0.562884 0.059560
N 2.826314 -0.394734 -0.076320
N -4.019181 0.096425 0.387638
C 2.105470 0.956460 -0.289897
C 4.028491 -0.450998 -1.070952
C 1.887108 -1.602325 -0.354133
C 3.325193 -0.485862 1.395697
C 0.899484 1.317097 0.602038
C -2.524379 -0.170243 0.116555
C -1.554361 0.871303 0.709492
C 5.151184 0.564109 -0.824831
C 1.357685 -1.720787 -1.787642
C 4.268245 -1.653492 1.713567
C 0.693579 2.845109 0.550917
C -4.852087 -1.142882 -0.088700
C -4.273577 0.262982 1.888022
C -4.501697 1.350204 -0.344494
C -4.751156 -1.473401 -1.579476
H 2.880417 1.724607 -0.142166
H 1.785982 0.989285 -1.344696
H 4.410990 -1.483436 -1.015151
H 3.594809 -0.303117 -2.073146
H 2.469401 -2.498615 -0.085645
H 1.049622 -1.492328 0.353270
H 3.813301 0.478565 1.614828
H 2.417054 -0.561257 2.017249
H 1.050747 1.009393 1.658031
H -2.388684 -0.189343 -0.976488
H -2.301047 -1.173561 0.517148
H -1.460667 0.775628 1.810779
H -1.869679 1.904173 0.464484
H 5.936011 0.372520 -1.578220
H 5.629514 0.462097 0.162608
H 4.837410 1.611984 -0.965134
H 0.690104 -2.600706 -1.818783
H 2.147629 -1.905770 -2.533121
H 0.758651 -0.847571 -2.092427
H 4.532457 -1.581383 2.783721
H 5.214504 -1.617172 1.150639
H 3.805375 -2.643644 1.570400
H 0.527009 3.196520 -0.482731
H -0.159032 3.165377 1.172429
H 1.581942 3.363271 0.953184
H -4.505492 -1.987576 0.532245
H -5.895202 -0.914367 0.190905
H -3.903505 -0.627361 2.419246
H -3.762646 1.164775 2.255259
H -5.356391 0.368708 2.054449
H -4.226179 1.286331 -1.406362
H -5.596131 1.416209 -0.247647
H -4.044425 2.242243 0.107216
H -5.123746 -0.665743 -2.230612
H -3.735602 -1.761550 -1.897554
H -5.399255 -2.348438 -1.764946


