%chk=000026590.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026590

0 1
 O    2.347300       1.797500      0.8484000    
 O   -3.631300      0.3593000     -0.2647000    
 O   -3.707600       2.507100      -1.089500    
 N   -6.840800      -1.448000     -0.4561000    
 C    6.841300     -7.6600000E-02  0.1534000    
 C    7.724800      -1.322700      4.5299999E-02
 C    5.369100     -0.3958000      0.4232000    
 C    9.182500      -1.007700     -0.2975000    
 C    4.531300      0.8797000      0.4983000    
 C    10.00100      -2.289000     -0.4641000    
 C    3.072100      0.5761000      0.8074000    
 C   -5.431600      -1.224800     -0.1695000    
 C    11.44160      -1.984400     -0.8423000    
 C   -7.683200     -0.8157000      0.5621000    
 C   -7.133300      -2.881200     -0.5350000    
 C   -5.016100      0.1789000     -0.5799000    
 C   -9.157700     -0.9830000      0.2362000    
 C   -6.870200      -3.569100      0.7939000    
 C    1.022400       1.742600      0.5011000    
 C   -1.675100       1.632100     -0.2017000    
 C   0.4082000       2.850000     -8.3899997E-02
 C   0.2878000      0.5800000      0.7347000    
 C   -3.081400       1.575100     -0.5676000    
 C  -0.9405000       2.794700     -0.4353000    
 C   -1.060800      0.5249000      0.3834000    
 H    7.227400      0.5672000      0.9534000    
 H    6.918300      0.4969000     -0.7789000    
 H    7.684700      -1.875700      0.9918000    
 H    7.309800      -1.984500     -0.7253000    
 H    5.284000     -0.9513000       1.364900    
 H    4.982600      -1.044800     -0.3718000    
 H    9.221300     -0.4248000      -1.225700    
 H    9.619800     -0.3866000      0.4932000    
 H    4.596600       1.432400     -0.4473000    
 H    4.931000       1.552700       1.267200    
 H    9.553100      -2.919700      -1.241000    
 H    9.986200      -2.863700      0.4692000    
 H    2.695500     -9.2000000E-02  2.1700000E-02
 H    2.989600      7.6899998E-02   1.779700    
 H   -4.798600      -1.922100     -0.7354000    
 H   -5.176300      -1.382000      0.8866000    
 H    11.92970      -1.379400     -7.1599998E-02
 H    12.00870      -2.913800     -0.9546000    
 H    11.49170      -1.439300      -1.790300    
 H   -7.473500      -1.147100       1.585300    
 H   -7.501200      0.2649000      0.5614000    
 H   -6.499000      -3.337200      -1.306600    
 H   -8.155500      -3.075200     -0.8764000    
 H   -5.158300      0.3181000      -1.658500    
 H   -5.584600      0.9451000     -4.3600000E-02
 H   -9.374400     -0.7237000     -0.8059000    
 H   -9.519700      -1.996800      0.4315000    
 H   -9.750700     -0.3116000      0.8675000    
 H   -5.844800      -3.450000       1.154500    
 H   -7.564100      -3.268000       1.583500    
 H   -7.019000      -4.647900      0.6615000    
 H   0.9758000       3.758200     -0.2678000    
 H   0.7208000     -0.2934000       1.213200    
 H   -1.399600       3.668800     -0.8898000    
 H   -1.595100     -0.3984000      0.5896000    


%chk=000026590-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026590

0 1
O 2.432433 1.544642 -0.266288
O -3.864773 0.246080 -0.357889
O -3.952297 2.571924 -0.511440
N -7.260071 -1.293527 0.003894
C 7.143434 -0.081793 -0.054658
C 8.109808 -1.281634 0.063799
C 5.654018 -0.493934 -0.059697
C 9.598252 -0.866152 0.065964
C 4.703417 0.720902 -0.164804
C 10.568312 -2.062844 0.194351
C 3.232002 0.303977 -0.175979
C -5.781212 -1.213847 -0.062269
C 12.052617 -1.637648 0.195249
C -7.803679 -0.900277 1.329196
C -7.834639 -2.529774 -0.581312
C -5.354277 0.220382 -0.405297
C -9.305476 -0.561286 1.295907
C -7.553265 -3.850785 0.187648
C 1.040826 1.437220 -0.298926
C -1.790706 1.451326 -0.379501
C 0.339061 2.669347 -0.387909
C 0.326255 0.210524 -0.249941
C -3.273279 1.516130 -0.425184
C -1.061575 2.672608 -0.427997
C -1.082152 0.226962 -0.290501
H 7.325727 0.619562 0.786068
H 7.370091 0.481606 -0.983638
H 7.885334 -1.843391 0.994840
H 7.927186 -1.985448 -0.775330
H 5.430616 -1.064316 0.866205
H 5.470567 -1.187679 -0.906849
H 9.826189 -0.309806 -0.867411
H 9.780791 -0.157700 0.901182
H 4.920258 1.292250 -1.087662
H 4.873678 1.408100 0.685982
H 10.385387 -2.771233 -0.639489
H 10.340716 -2.617206 1.127907
H 3.006560 -0.344336 -1.048156
H 2.963529 -0.240705 0.753082
H -5.414345 -1.893250 -0.853224
H -5.284163 -1.525108 0.886277
H 12.266774 -0.949475 1.034878
H 12.724772 -2.509922 0.293586
H 12.315433 -1.112650 -0.742583
H -7.614144 -1.682242 2.107305
H -7.249815 -0.000774 1.657448
H -7.443454 -2.618984 -1.612875
H -8.927110 -2.390437 -0.678939
H -5.690570 0.507398 -1.416702
H -5.749048 0.961257 0.312379
H -9.505831 0.203598 0.525087
H -9.928739 -1.446502 1.075063
H -9.627554 -0.165955 2.276836
H -6.467427 -4.037773 0.281192
H -7.985984 -3.831538 1.204474
H -7.999246 -4.707470 -0.351387
H 0.915624 3.598281 -0.424183
H 0.851812 -0.745967 -0.181129
H -1.620010 3.611691 -0.497382
H -1.644638 -0.710197 -0.253766


