%chk=000043168.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043168

0 1
 O    1.773100       2.122500      -1.443500    
 O   -1.334500       1.409500       1.825200    
 O  -0.1885000       3.280200      -1.679700    
 O   0.4871000       2.798800       1.768000    
 O    5.809100      -2.316700      0.8762000    
 O   -5.723300      -2.647300     -0.5277000    
 N    3.763900     -0.8461000     -0.4491000    
 N   -4.078500     -0.4169000      0.1214000    
 C  -4.9300000E-02   1.388600     -0.1487000    
 C    1.027600      0.3159000     -0.1627000    
 C   -1.441100      0.8591000     -0.4396000    
 C    2.260900       1.098800     -0.5663000    
 C   -1.924900      0.4509000      0.9366000    
 C   0.4543000       2.373000      -1.173700    
 C  -0.2329000       1.969100       1.233800    
 C    3.296000      0.2557000      -1.287300    
 C   -3.435300      0.4849000       1.074700    
 C    4.695300      -1.707100      -1.191000    
 C    4.410000     -0.3372000      0.7689000    
 C   -3.612400      -1.797300      0.3130000    
 C   -5.541000     -0.3568000      0.2513000    
 C    5.178600      -2.841900     -0.2925000    
 C    4.901100      -1.504100       1.621100    
 C   -4.305800      -2.720800     -0.6845000    
 C   -6.189500      -1.314800     -0.7439000    
 H    1.162000     -0.1929000      0.7978000    
 H   0.7941000     -0.4455000     -0.9178000    
 H   -2.072700       1.657800     -0.8500000    
 H   -1.458900      3.2900002E-02  -1.157500    
 H    2.694400       1.631700      0.2866000    
 H   -1.509100     -0.5158000       1.240500    
 H    4.126600      0.8967000      -1.613400    
 H    2.850300     -0.1375000      -2.211100    
 H   -3.786200       1.513200      0.9140000    
 H   -3.708900      0.2395000       2.110100    
 H    5.558300      -1.123800      -1.537900    
 H    4.199800      -2.136300      -2.069200    
 H    3.719500      0.2324000       1.396600    
 H    5.258000      0.3105000      0.5109000    
 H   -2.540000      -1.904500      0.1291000    
 H   -3.824900      -2.135500       1.335500    
 H   -5.844300     -0.6304000       1.270400    
 H   -5.899300      0.6595000      5.1399998E-02
 H    5.917600      -3.449500     -0.8245000    
 H    4.355000      -3.503800      1.8000000E-03
 H    4.068700      -2.121100       1.981300    
 H    5.436700      -1.126400       2.498100    
 H   -4.038500      -2.473500      -1.719200    
 H   -4.005500      -3.757900     -0.5041000    
 H   -7.275500      -1.316000     -0.6067000    
 H   -5.986500      -1.019700      -1.780700    


%chk=000043168-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043168

0 1
O 1.693544 2.181026 -1.175926
O -1.424885 1.066705 1.978154
O -0.476763 2.907158 -1.566294
O 0.544333 2.289972 2.052387
O 6.355862 -2.232643 0.513953
O -6.470666 -2.321171 -0.668661
N 4.168950 -0.580655 -0.464274
N -4.329089 -0.574222 0.218606
C -0.052851 0.987472 -0.011117
C 1.226666 0.100628 -0.049347
C -1.412726 0.337248 -0.337379
C 2.354173 1.117466 -0.335075
C -2.093376 0.104898 1.033871
C 0.307095 2.138833 -0.989572
C -0.235336 1.555306 1.424323
C 3.537426 0.573422 -1.146111
C -3.601513 0.396957 1.067612
C 5.015786 -1.380266 -1.392661
C 4.962096 -0.186562 0.734285
C -4.617717 -1.856702 0.915287
C -5.574918 -0.022878 -0.380109
C 5.564561 -2.617998 -0.665775
C 5.520726 -1.439217 1.429324
C -5.239240 -2.859668 -0.070968
C -6.176867 -1.050132 -1.352575
H 1.409951 -0.458001 0.881447
H 1.156206 -0.625412 -0.879654
H -2.015060 1.042239 -0.938104
H -1.313423 -0.598575 -0.908021
H 2.674800 1.624097 0.591357
H -1.875435 -0.903785 1.431749
H 4.259360 1.403024 -1.342500
H 3.153648 0.234014 -2.126592
H -3.763709 1.416659 0.672819
H -3.954904 0.392603 2.125586
H 5.873352 -0.778071 -1.783827
H 4.400093 -1.700406 -2.254376
H 4.316734 0.358699 1.447265
H 5.808042 0.488663 0.451852
H -3.680209 -2.280454 1.321738
H -5.320267 -1.699585 1.771577
H -6.333401 0.226073 0.402814
H -5.330213 0.904528 -0.930498
H 6.254338 -3.184820 -1.312481
H 4.720913 -3.271721 -0.354800
H 4.679351 -2.061794 1.804113
H 6.180688 -1.164749 2.268359
H -4.504862 -3.097462 -0.870961
H -5.541739 -3.786963 0.442869
H -7.142406 -0.700772 -1.753368
H -5.466422 -1.228905 -2.188318


