%chk=000016750.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016750

0 1
 O    6.720100      -1.027400     -0.1720000    
 O   -4.675500       1.312800     -0.2248000    
 O   -3.629300       2.077200       1.687900    
 N   0.3755000      0.7141000     -0.5140000    
 C   -2.509900      0.5101000      0.2198000    
 C   -1.996600       1.111000      -1.116400    
 C   -1.354200      0.6642000       1.244300    
 C  -0.6408000      0.5442000      -1.558200    
 C  -3.7000000E-02  6.9499999E-02  0.7375000    
 C    1.665600      0.1906000     -0.9617000    
 C   -3.044200     -0.9281000      0.1508000    
 C    2.801200      0.8145000     -0.1520000    
 C   -3.650600       1.397800      0.6705000    
 C    4.163100      0.2962000     -0.6189000    
 C    6.653000      0.4054000     -0.2690000    
 C    5.299600      0.8911000      0.2122000    
 C    7.815000      0.9399000      0.5502000    
 C    8.856200     -0.1281000      0.3270000    
 C   -3.553200      -1.538700       1.297100    
 C   -3.021000      -1.623700      -1.058100    
 C    8.016900      -1.388100      0.3269000    
 C   -4.038700      -2.844800       1.234600    
 C   -3.506600      -2.929800      -1.120600    
 C   -4.015400      -3.540400      2.5800001E-02
 C   -5.826400       2.106700      8.1000000E-02
 C   -6.866800       1.903700     -0.9998000    
 H   -2.726300      0.9931000      -1.927500    
 H   -1.882300       2.199600     -0.9991000    
 H   -1.178400       1.728400       1.460600    
 H   -1.604600      0.2059000       2.208800    
 H  -0.3342000       1.097600      -2.455000    
 H  -0.7055000     -0.5075000      -1.851100    
 H  -0.1398000      -1.016000      0.6105000    
 H   0.7061000      0.2298000       1.525200    
 H    1.833000      0.4601000      -2.013100    
 H    1.698300     -0.9054000     -0.9108000    
 H    2.772800       1.907000     -0.2523000    
 H    2.697600      0.5872000      0.9143000    
 H    4.308000      0.5500000      -1.676100    
 H    4.176100     -0.7978000     -0.5443000    
 H    6.794300      0.6628000      -1.326400    
 H    5.152200      0.5990000       1.259700    
 H    5.262200       1.986000      0.1673000    
 H    7.559000      0.9864000       1.615700    
 H    8.137900       1.934900      0.2314000    
 H    9.325200      9.3999999E-03 -0.6544000    
 H    9.644400     -0.1402000       1.084200    
 H   -3.588800      -1.014100       2.247700    
 H   -2.682600      -1.192200      -1.991000    
 H    7.885800      -1.776900       1.342300    
 H    8.445200      -2.177800     -0.2967000    
 H   -4.437200      -3.319500       2.126500    
 H   -3.498700      -3.468600      -2.063600    
 H   -4.396300      -4.556300     -2.3600001E-02
 H   -6.234500       1.799200       1.050300    
 H   -5.539600       3.163300      0.1254000    
 H   -6.466500       2.189500      -1.978100    
 H   -7.149500      0.8480000      -1.068400    
 H   -7.762600       2.497200     -0.7972000    


%chk=000016750-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016750

0 1
O 6.865005 -1.034736 -0.309675
O -4.703328 1.510541 -0.326085
O -4.034264 1.598683 1.897591
N 0.325374 0.692162 -0.528075
C -2.569633 0.473494 0.222833
C -2.073458 1.042356 -1.139021
C -1.419275 0.690085 1.252669
C -0.712588 0.452272 -1.563473
C -0.089939 0.088312 0.764871
C 1.662646 0.229214 -0.980276
C -3.036566 -1.010346 0.164582
C 2.825838 0.764805 -0.120309
C -3.809682 1.254877 0.713084
C 4.204969 0.367656 -0.691847
C 6.755010 0.461180 -0.365885
C 5.378375 0.896233 0.160741
C 7.958683 1.004713 0.446665
C 8.988234 -0.152468 0.396146
C -3.300428 -1.706579 1.375101
C -3.280634 -1.687318 -1.057346
C 8.071041 -1.389115 0.473327
C -3.770681 -3.037207 1.365477
C -3.748876 -3.020398 -1.071340
C -3.992897 -3.705541 0.139760
C -5.984211 2.180244 0.059859
C -6.807500 2.322346 -1.215910
H -2.824443 0.891577 -1.932644
H -1.947038 2.135250 -1.024331
H -1.283789 1.777597 1.397587
H -1.684709 0.269002 2.236248
H -0.386995 0.943245 -2.500185
H -0.817208 -0.640958 -1.783092
H -0.182990 -1.026197 0.679559
H 0.688280 0.294463 1.520197
H 1.801899 0.590614 -2.018745
H 1.717901 -0.891193 -1.020123
H 2.736441 1.867656 -0.060592
H 2.747428 0.380971 0.916433
H 4.302359 0.755548 -1.728072
H 4.288527 -0.734548 -0.758247
H 6.850439 0.734919 -1.437960
H 5.275445 0.536191 1.204537
H 5.346578 2.005989 0.195352
H 7.650851 1.195423 1.492913
H 8.351476 1.946768 0.027657
H 9.535077 -0.140195 -0.564296
H 9.722371 -0.112343 1.219534
H -3.158510 -1.200725 2.336400
H -3.115172 -1.178349 -2.011218
H 7.788234 -1.607432 1.525251
H 8.503527 -2.297439 0.019931
H -3.968276 -3.549238 2.314139
H -3.924543 -3.521925 -2.030001
H -4.355623 -4.739461 0.129128
H -6.483816 1.554643 0.821640
H -5.740940 3.154620 0.521082
H -6.276629 2.938111 -1.962105
H -7.013839 1.334480 -1.661997
H -7.772831 2.809470 -0.986146


