%chk=000001898.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001898

0 1
 O   -5.205500       1.161100      0.7641000    
 O   0.8309000     -0.1514000      -2.713200    
 O    1.625000      -1.987600      -1.629500    
 C    3.939600      0.1564000      0.3943000    
 C    5.049300     -0.3509000       1.321000    
 C    3.867000       1.685700      0.3275000    
 C    5.073000      -1.878300       1.378500    
 C   -2.605100      -3.122800     -0.9210000    
 C   -1.134000      -2.895900      -1.293500    
 C    2.795000       2.178800     -0.6008000    
 C    6.149700      -2.380800       2.327400    
 C   -4.401200     -0.9025000       1.755900    
 C   -4.278900      0.6295000       1.707800    
 C   -3.004400      -2.459900      0.3659000    
 C  -0.7468000      -1.434300      -1.529400    
 C   -4.008200      -1.576100      0.4682000    
 C    1.774700       2.957600     -0.2107000    
 C   0.7104000       3.468100      -1.138000    
 C   -2.869200       1.089500       1.429300    
 C  -0.6893000       2.994200     -0.8418000    
 C   -2.471200       1.843900      0.3927000    
 C   0.6931000      -1.264100      -1.947600    
 C   -1.093900       2.239800      0.1929000    
 H    2.973600     -0.2357000      0.7380000    
 H    4.101100     -0.2456000     -0.6143000    
 H    4.894000      5.2999999E-02   2.328700    
 H    6.019100      2.1199999E-02  0.9693000    
 H    4.829000       2.078500     -2.3499999E-02
 H    3.716300       2.084000       1.338500    
 H    5.254300      -2.286000      0.3773000    
 H    4.098300      -2.254400       1.710700    
 H   -3.240400      -2.783300      -1.748200    
 H   -2.777100      -4.200900     -0.8164000    
 H  -0.4937000      -3.315700     -0.5064000    
 H  -0.9124000      -3.473300      -2.200400    
 H    2.875300       1.882300      -1.643400    
 H    5.976600      -2.017300       3.345400    
 H    6.151300      -3.475000       2.353200    
 H    7.141800      -2.047000       2.007100    
 H   -5.444500      -1.174000       1.960400    
 H   -3.802300      -1.289900       2.589800    
 H   -4.566400       1.030900       2.687200    
 H   -2.434200      -2.727200       1.252000    
 H   -1.392100      -1.023200      -2.314800    
 H  -0.8926000     -0.8423000     -0.6206000    
 H   -4.584100      -1.318000     -0.4171000    
 H    1.712000       3.267800      0.8300000    
 H   0.7179000       4.564100      -1.100700    
 H   0.9457000       3.190600      -2.173200    
 H   -2.128200      0.7661000       2.159400    
 H   -1.433900       3.329000      -1.563400    
 H   -3.192600       2.179600     -0.3470000    
 H  -0.3788000       1.892400      0.9330000    
 H   -6.094600      0.8686000       1.027600    
 H    1.762600     -7.1999999E-03  -2.984100    


%chk=000001898-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000001898

0 1
O -5.268099 1.251276 0.022040
O 0.847939 0.032429 -1.557866
O 0.701688 -1.062121 0.482007
C 4.195815 0.139592 0.228435
C 5.325325 -0.443886 1.106751
C 3.965701 1.654807 0.480922
C 5.553350 -1.954600 0.872269
C -2.633486 -3.421918 -0.733299
C -1.119172 -3.053077 -0.784571
C 2.936164 2.271950 -0.444263
C 6.669634 -2.540129 1.764082
C -4.825985 -0.839946 1.328971
C -4.573905 0.694136 1.201495
C -3.337811 -2.657769 0.368260
C -0.885959 -1.624801 -1.329047
C -4.225785 -1.643327 0.195872
C 1.787490 2.884992 -0.040682
C 0.791389 3.570605 -0.953912
C -3.106068 1.033402 1.086318
C -0.670883 3.224115 -0.731927
C -2.593939 1.972337 0.238177
C 0.288678 -0.907017 -0.695125
C -1.168333 2.278976 0.120541
H 3.254248 -0.409342 0.427966
H 4.443348 -0.022518 -0.841800
H 5.081548 -0.274304 2.176509
H 6.270814 0.105478 0.911068
H 4.934899 2.181830 0.348371
H 3.661143 1.808980 1.534604
H 5.803795 -2.123147 -0.195198
H 4.604282 -2.496561 1.058125
H -3.106634 -3.211962 -1.712548
H -2.725818 -4.511958 -0.554554
H -0.694205 -3.120394 0.234907
H -0.575930 -3.787070 -1.409624
H 3.173781 2.243065 -1.522191
H 6.425494 -2.415278 2.836091
H 6.816023 -3.619552 1.574732
H 7.634207 -2.030238 1.578833
H -5.925655 -0.995693 1.382104
H -4.408263 -1.185808 2.295361
H -4.988571 1.171840 2.121970
H -3.035315 -2.925215 1.394560
H -0.775520 -1.605136 -2.426471
H -1.768996 -0.994096 -1.089845
H -4.526422 -1.346029 -0.819880
H 1.569744 2.933064 1.037789
H 0.903044 4.672299 -0.835224
H 1.053363 3.366876 -2.014030
H -2.436596 0.461876 1.745610
H -1.381827 3.792133 -1.352526
H -3.292489 2.513182 -0.413929
H -0.481232 1.690833 0.747679
H -6.243516 1.134586 0.148785
H 1.484506 0.630331 -1.058591


