%chk=000048850.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048850

0 1
 I  -0.3635000      -2.392000       1.177000    
 I  -0.9145000       3.585900      6.4599998E-02
 I   -5.826000     -3.6400001E-02 -0.1973000    
 O    1.357700     -0.6590000     -0.8534000    
 O   -4.066100       2.836400      -1.667100    
 O   -4.571100       3.362700      0.4857000    
 O   -3.348900      -3.032300      -1.606200    
 N   0.3868000      0.7222000      0.7818000    
 N   -3.520700      -2.152200      0.5723000    
 C    5.313600      0.3699000      0.3969000    
 C    6.454700     -0.2634000     -0.4032000    
 C    3.949400     -8.1699997E-02 -0.1349000    
 C    7.845100      0.1442000      9.3099996E-02
 C    2.786700      0.5616000      0.6199000    
 C    8.985200     -0.5070000     -0.6906000    
 C    1.431900      0.1288000      8.5400000E-02
 C    10.34220     -8.0399998E-02 -0.1518000    
 C   -1.000800      0.5535000      0.5627000    
 C   -1.575400     -0.7125000      0.6749000    
 C   -1.794100       1.652900      0.2347000    
 C   -2.943300     -0.8792000      0.4591000    
 C   -3.162000       1.486300      1.8900000E-02
 C   -3.736600      0.2203000      0.1310000    
 C   -3.994600       2.640000     -0.3256000    
 C   -3.683200      -3.112700     -0.4287000    
 C   -4.352500      -4.356100      0.1008000    
 H    5.405900      9.3000002E-02   1.453900    
 H    5.388700       1.462400      0.3394000    
 H    6.356100      1.6600000E-02  -1.459400    
 H    6.365200      -1.355800     -0.3557000    
 H    3.873600      -1.174100     -6.2899999E-02
 H    3.874400      0.1683000      -1.200900    
 H    7.940500       1.235600      3.2600001E-02
 H    7.937600     -0.1227000       1.153200    
 H    2.853400       1.653300      0.5422000    
 H    2.837300      0.2953000       1.682300    
 H    8.912600     -0.2315000      -1.748900    
 H    8.900000      -1.598100     -0.6320000    
 H    10.45690     -0.3708000      0.8975000    
 H    10.46990       1.004400     -0.2245000    
 H    11.14390     -0.5560000     -0.7253000    
 H   0.6274000       1.603700       1.232000    
 H   -3.960100      -2.336100       1.471700    
 H   -5.387700      -4.128600      0.3696000    
 H   -3.818600      -4.724300      0.9815000    
 H   -4.345200      -5.135400     -0.6662000    
 H   -4.624200       3.610600      -1.894300    


%chk=000048850-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048850

0 1
I -0.756198 -2.371507 2.017170
I -0.527106 3.285671 -0.410751
I -5.804521 0.138758 -0.418995
O 1.264697 -1.041388 -0.460067
O -3.746155 2.550092 -2.265676
O -4.201591 3.545256 -0.211992
O -4.094470 -2.683819 -1.471387
N 0.422507 0.544567 1.036879
N -3.736115 -2.133346 0.774788
C 5.386781 0.147852 0.549240
C 6.510924 0.012065 -0.502508
C 3.974966 0.008597 -0.060419
C 7.929075 0.145665 0.096550
C 2.857740 0.147721 0.996219
C 9.052457 0.004400 -0.955983
C 1.472820 -0.180609 0.433771
C 10.466391 0.140689 -0.350796
C -0.947518 0.416971 0.674628
C -1.682932 -0.770726 0.933505
C -1.627846 1.495169 0.043061
C -3.044283 -0.912534 0.539154
C -2.995785 1.409861 -0.300773
C -3.699029 0.207690 -0.043368
C -3.710781 2.609155 -0.876108
C -4.198062 -2.981881 -0.253999
C -4.857322 -4.263462 0.241606
H 5.526140 -0.625720 1.333881
H 5.481213 1.129778 1.059612
H 6.371683 0.782118 -1.289841
H 6.417862 -0.970381 -1.010297
H 3.866832 -0.974416 -0.555211
H 3.832150 0.771958 -0.850831
H 8.024591 1.129861 0.601886
H 8.069469 -0.623072 0.885339
H 2.871218 1.160722 1.446732
H 3.049092 -0.567447 1.823969
H 8.910742 0.771560 -1.744560
H 8.957173 -0.979181 -1.459650
H 10.645858 -0.636166 0.416423
H 10.596135 1.126562 0.134758
H 11.250265 0.039201 -1.123825
H 0.680507 1.338831 1.628515
H -3.706444 -2.513140 1.724440
H -5.955333 -4.152914 0.177784
H -4.592909 -4.522962 1.281624
H -4.566571 -5.090758 -0.424901
H -4.230717 3.344263 -2.623798


