%chk=000022221.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022221

0 1
 O    5.454800     -4.1900001E-02 -0.5127000    
 O   -3.706000      -1.192600      -1.701700    
 O   -5.613600      -1.295500      0.3167000    
 O  -0.5539000       2.064900       2.088700    
 N  -0.4035000       2.326200     -0.2104000    
 N    6.674000      -3.164600       1.015100    
 C   0.7982000       3.129000     -0.2096000    
 C    2.037600       2.285300     -0.2902000    
 C   -2.202500       1.024500      0.7856000    
 C    2.566300       1.958000      -1.532900    
 C    2.643100       1.840400      0.8790000    
 C   -1.009800       1.839700      0.9536000    
 C   -3.534100     -0.4852000     -0.5505000    
 C    4.331800      0.7232000     -0.4392000    
 C   -2.389300      0.2953000     -0.3888000    
 C   -4.491800     -0.5366000      0.4625000    
 C    3.717500       1.173900      -1.607600    
 C    3.794400       1.056400      0.8043000    
 C   -3.160300      0.9730000       1.798300    
 C   -4.304900      0.1926000       1.636800    
 C    5.668100     -0.9850000      0.5366000    
 C    6.418300      -2.181300     -2.6799999E-02
 C   -3.130300     -0.6498000      -2.888300    
 C   -6.188400      -1.837500       1.504100    
 C   -3.959300      -1.079500      -4.079800    
 C   -6.885500      -3.137800       1.165300    
 C    7.429200      -4.295500      0.4918000    
 H   0.8184000       3.754000      0.6910000    
 H   0.7399000       3.810900      -1.065800    
 H  -0.8294000       2.157800      -1.115500    
 H    2.095000       2.301800      -2.449400    
 H    2.240500       2.101300       1.853500    
 H   -1.612000      0.2821000      -1.146100    
 H    4.131000      0.9168000      -2.579000    
 H    4.257900      0.7519000       1.738000    
 H   -3.037700       1.542800       2.715800    
 H   -5.038300      0.2058000       2.437500    
 H    4.718400      -1.347100      0.9530000    
 H    6.253100     -0.5046000       1.330100    
 H    7.360200      -1.831300     -0.4676000    
 H    5.835000      -2.621500     -0.8455000    
 H   -2.107000      -1.025500      -2.997600    
 H   -3.121100      0.4475000      -2.874300    
 H   -6.913700      -1.124600       1.911500    
 H   -5.427000      -2.062300       2.261600    
 H    5.789600      -3.496500       1.399100    
 H   -4.990400     -0.7240000      -3.980600    
 H   -4.004700      -2.171700      -4.144100    
 H   -3.539200     -0.6888000      -5.010900    
 H   -7.348100      -3.577400       2.053500    
 H   -7.659900      -2.974200      0.4085000    
 H   -6.176000      -3.857400      0.7434000    
 H    8.403500      -3.977700      0.1067000    
 H    6.880300      -4.811800     -0.3025000    
 H    7.612500      -5.014400       1.296400    


%chk=000022221-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022221

0 1
O 5.552087 -0.108258 -0.775795
O -3.904948 -1.533735 -1.176803
O -6.116051 -1.000225 0.170113
O -1.313228 2.749256 2.410742
N -0.444540 2.176243 0.330285
N 7.435024 -3.259364 -0.195675
C 0.813211 2.917236 0.525548
C 2.044017 2.087060 0.183200
C -2.642953 1.289018 0.991435
C 3.025397 2.577223 -0.716482
C 2.251829 0.816725 0.773611
C -1.430802 2.120078 1.308746
C -3.811041 -0.493057 -0.246113
C 4.372725 0.561340 -0.414428
C -2.645460 0.257732 0.009048
C -5.010308 -0.212800 0.490542
C 4.180123 1.829009 -1.015854
C 3.401766 0.050233 0.485219
C -3.821153 1.542448 1.724110
C -4.995958 0.802651 1.473893
C 5.809262 -1.422779 -0.164684
C 7.160269 -1.902124 -0.706500
C -2.698627 -1.862247 -1.960424
C -7.367229 -0.763711 0.921667
C -3.081715 -3.008844 -2.891996
C -8.393204 -1.755650 0.381527
C 8.822245 -3.725767 -0.379185
H 0.807506 3.223696 1.588601
H 0.808966 3.846228 -0.079450
H -0.610538 1.751493 -0.582451
H 2.886628 3.558629 -1.186943
H 1.504923 0.423657 1.473591
H -1.722707 0.001931 -0.521203
H 4.941286 2.203230 -1.707307
H 3.534074 -0.923360 0.966503
H -3.795930 2.321423 2.491896
H -5.898962 1.023122 2.049659
H 4.997674 -2.130075 -0.442036
H 5.848197 -1.340787 0.938643
H 7.953198 -1.224455 -0.339818
H 7.156432 -1.824025 -1.820471
H -1.878869 -2.158536 -1.272959
H -2.374351 -0.968397 -2.533973
H -7.696931 0.284305 0.767162
H -7.181268 -0.921537 2.003946
H 6.749480 -3.944075 -0.540314
H -3.903178 -2.705506 -3.562821
H -3.415757 -3.884851 -2.310764
H -2.213245 -3.304379 -3.508493
H -9.357489 -1.627309 0.906217
H -8.556004 -1.596681 -0.697865
H -8.046660 -2.792254 0.530303
H 9.507794 -3.078910 0.198657
H 9.173831 -3.726734 -1.439669
H 8.922060 -4.752034 0.016211


