%chk=000111581.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111581

0 1
 O    4.061800      -2.372400       1.156700    
 O    3.175700       1.584700      -1.283800    
 O    7.419200      0.7754000      0.4541000    
 O   -4.824200      -2.391700     -0.9853000    
 O   -2.621500       1.567700      0.3822000    
 O   -7.219900       1.100900      0.9476000    
 N    5.756600     -0.8067000      0.8069000    
 N    5.316300       1.177000     -0.4584000    
 N   -6.037400     -0.6521000     -1.1900000E-02
 N   -4.916400       1.335100      0.7121000    
 C    3.540900     -0.4217000     -7.7699997E-02
 C    4.452700      -1.305700      0.6857000    
 C    3.964900      0.8673000     -0.6707000    
 C   -3.649800     -0.4467000     -0.3238000    
 C    6.251500      0.4109000      0.2756000    
 C    2.270000     -0.8070000     -0.2400000    
 C    1.242200     -1.1300000E-02 -0.9886000    
 C   -4.870900      -1.271100     -0.4813000    
 C   -3.652500      0.9040000      0.2835000    
 C   -6.136500      0.6318000      0.5813000    
 C   -2.481600     -0.9490000     -0.7527000    
 C    6.720000      -1.608800       1.557200    
 C    5.807500       2.416400      -1.055800    
 C  -6.5700002E-02 -0.7435000      -1.081000    
 C   -1.231600     -0.2377000     -0.6510000    
 C   -7.292100      -1.389200     -0.1406000    
 C   -4.979100       2.643400       1.359600    
 H    1.932800      -1.746600      0.1937000    
 H    1.081400      0.9554000     -0.4977000    
 H    1.557500      0.1416000      -2.027800    
 H   -2.434500      -1.936500      -1.205800    
 H    7.570700      -1.837900      0.9072000    
 H    6.290500      -2.542300       1.928200    
 H    7.083700      -1.018700       2.404600    
 H    5.933700       3.152300     -0.2553000    
 H    5.123300       2.816700      -1.808100    
 H    6.783100       2.240300      -1.519900    
 H  -4.4799998E-02  -1.724600      -1.552500    
 H   -1.056900      0.7271000     -0.2228000    
 H   -7.738100      -1.503000      0.8529000    
 H   -7.154900      -2.376600     -0.5873000    
 H   -7.979800     -0.8060000     -0.7617000    
 H   -3.993200       3.009400       1.657100    
 H   -5.619500       2.585800       2.245500    
 H   -5.428100       3.350000      0.6543000    


%chk=000111581-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111581

0 1
O 4.261097 -2.468330 1.019967
O 3.539290 1.816014 -1.119556
O 7.817130 0.414825 0.115441
O -4.635499 -2.419535 -0.629622
O -3.215763 2.088639 0.463131
O -7.711068 0.857465 0.620326
N 6.039562 -1.024431 0.573154
N 5.679096 1.110907 -0.504511
N -6.172629 -0.780995 -0.002742
N -5.458475 1.459693 0.537444
C 3.749522 -0.348350 -0.050513
C 4.667261 -1.366324 0.551893
C 4.277827 0.927993 -0.595281
C -3.771862 -0.209565 -0.115540
C 6.581257 0.180013 0.064641
C 2.410008 -0.654153 -0.079103
C 1.285335 0.188139 -0.620135
C -4.855018 -1.223388 -0.273971
C -4.084957 1.177863 0.305882
C -6.514325 0.530078 0.397022
C -2.483354 -0.647787 -0.382660
C 7.011205 -1.979859 1.159237
C 6.278924 2.361142 -1.030720
C -0.050170 -0.510150 -0.616246
C -1.244778 0.096799 -0.314961
C -7.296734 -1.737480 -0.138271
C -5.849630 2.825559 0.960039
H 2.153271 -1.633276 0.353577
H 1.239233 1.156174 -0.081691
H 1.551405 0.508119 -1.653461
H -2.418398 -1.705128 -0.683514
H 7.743745 -2.288179 0.396199
H 6.440898 -2.847926 1.518112
H 7.553491 -1.501993 1.990568
H 6.792819 2.902987 -0.220653
H 5.461219 2.969395 -1.441785
H 7.016368 2.124000 -1.814006
H -0.052048 -1.573094 -0.909690
H -1.289973 1.149484 -0.017340
H -7.822303 -1.840300 0.824699
H -6.869610 -2.700947 -0.449667
H -8.015040 -1.371714 -0.889503
H -4.930151 3.423473 1.027106
H -6.358093 2.786620 1.936786
H -6.543086 3.263922 0.224416


