%chk=000063061.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063061

0 1
 O    2.371300     -0.5860000      -1.492900    
 O   -3.391400       1.985200     -0.4334000    
 N   -6.660800      0.6196000      0.5825000    
 C    2.286000      -1.224400     -0.2124000    
 C    1.969500      0.2308000     -0.3874000    
 C    3.610900      -1.657900      0.3189000    
 C    1.228300      -2.244900     -3.3000000E-02
 C   0.5529000      0.6938000     -0.3997000    
 C    2.943100       1.261000      5.7100002E-02
 C    4.189300      -2.824900     -0.4670000    
 C   0.7748000      -2.575000       1.249400    
 C   0.6701000      -2.887400      -1.144100    
 C  -0.2405000      0.5416000      0.7374000    
 C   2.0900000E-02   1.280000      -1.548000    
 C    3.272600       1.378400       1.409900    
 C    3.532300       2.118700     -0.8752000    
 C   -1.566000      0.9757000      0.7263000    
 C   -1.304600       1.714100      -1.559300    
 C  -0.2235000      -3.534500       1.418200    
 C  -0.3283000      -3.846900     -0.9752000    
 C    4.184900       2.347300       1.827600    
 C    4.444700       3.087600     -0.4574000    
 C   -2.089000       1.559000     -0.4222000    
 C  -0.7750000      -4.170400      0.3058000    
 C    4.771000       3.201800      0.8940000    
 C   -4.304500       1.277800      0.3953000    
 C   -5.688700       1.350900     -0.2294000    
 C   -7.993500      0.7075000     -1.3300000E-02
 C   -6.256900     -0.7784000      0.7275000    
 H    3.545000      -1.924700       1.380500    
 H    4.359400     -0.8611000      0.2578000    
 H    3.576300      -3.726200     -0.3678000    
 H    4.271500      -2.586900      -1.532700    
 H    5.191200      -3.067000     -9.7199999E-02
 H    1.194200      -2.090900       2.127700    
 H    1.005400      -2.656300      -2.151800    
 H   0.1665000      0.1286000       1.655300    
 H   0.6267000       1.405500      -2.441600    
 H    2.821500      0.7225000       2.150300    
 H    3.288000       2.043000      -1.931600    
 H   -2.137100      0.8730000       1.643800    
 H   -1.715400       2.169900      -2.455700    
 H  -0.5714000      -3.786500       2.415700    
 H  -0.7570000      -4.342900      -1.841100    
 H    4.438300       2.436900       2.879900    
 H    4.901000       3.753200      -1.184100    
 H   -1.552200      -4.917500      0.4373000    
 H    5.481200       3.956300       1.219200    
 H   -3.986200      0.2329000      0.4634000    
 H   -4.310000       1.730000       1.394400    
 H   -5.649800      0.9697000      -1.259000    
 H   -5.979200       2.406600     -0.3080000    
 H   -8.308000       1.753500     -0.1010000    
 H   -8.032900      0.2506000      -1.008900    
 H   -8.734700      0.2119000      0.6237000    
 H   -7.069500      -1.365100       1.173800    
 H   -6.002800      -1.246200     -0.2308000    
 H   -5.420700     -0.8926000       1.424300    


%chk=000063061-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063061

0 1
O 2.657633 -0.661378 -1.535521
O -3.560248 1.210032 -0.836444
N -6.929381 1.009282 0.759215
C 2.611893 -1.321558 -0.168054
C 2.059660 0.103119 -0.372547
C 3.990125 -1.523768 0.459567
C 1.656872 -2.490501 -0.081707
C 0.569678 0.331383 -0.462959
C 2.869067 1.315412 0.044859
C 4.804440 -2.623283 -0.259368
C 1.501115 -3.207961 1.133529
C 0.910435 -2.897559 -1.215584
C -0.298337 0.022590 0.607993
C 0.027129 0.930653 -1.629296
C 2.483321 2.084444 1.173746
C 4.003929 1.716304 -0.704644
C -1.682071 0.299495 0.531624
C -1.346923 1.207155 -1.725279
C 0.610713 -4.301347 1.214668
C 0.025878 -3.994776 -1.136953
C 3.235365 3.215633 1.559230
C 4.746811 2.856460 -0.326493
C -2.207399 0.894184 -0.641940
C -0.130738 -4.700502 0.078481
C 4.370338 3.607068 0.810768
C -4.503960 0.892601 0.250011
C -5.884451 1.361229 -0.230625
C -8.069760 1.947944 0.758026
C -7.374741 -0.396123 0.656804
H 3.868049 -1.783146 1.529509
H 4.543213 -0.570218 0.429796
H 4.299111 -3.603924 -0.204524
H 4.936710 -2.366701 -1.325606
H 5.805276 -2.727038 0.197230
H 2.070880 -2.915000 2.023016
H 1.037948 -2.341535 -2.149290
H 0.098367 -0.458728 1.509056
H 0.690995 1.168820 -2.467275
H 1.588822 1.806963 1.742044
H 4.283649 1.127855 -1.584602
H -2.329675 0.041766 1.374497
H -1.777188 1.663114 -2.622191
H 0.498540 -4.842370 2.161303
H -0.541741 -4.298408 -2.023888
H 2.930623 3.797147 2.436843
H 5.617420 3.159036 -0.919528
H -0.818200 -5.551826 0.139506
H 4.948183 4.489875 1.106867
H -4.490142 -0.198286 0.448653
H -4.223555 1.428195 1.177778
H -6.084593 0.931610 -1.242146
H -5.855314 2.459396 -0.346130
H -7.708873 2.976669 0.932962
H -8.654266 1.941458 -0.196811
H -8.761769 1.686591 1.579003
H -8.057894 -0.630214 1.492743
H -7.909789 -0.616244 -0.301984
H -6.511980 -1.080786 0.727861


