%chk=000112124.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112124

0 1
 O   -1.139600      0.6479000     -6.1999999E-02
 O    2.781200      0.2882000      0.3672000    
 O   -2.326600       2.495900      0.7174000    
 O    1.531700      0.9530000       2.176000    
 O   -6.682700      -2.163700      -1.155800    
 O   -6.327700      -2.811000      0.9116000    
 N    1.153200       1.805200      5.1199999E-02
 N   -5.980600      -2.180500     -0.1161000    
 C   1.7100001E-02   3.928000     -0.5517000    
 C   6.2700003E-02   2.692000      0.3717000    
 C    1.336500       4.704600     -0.5078000    
 C  -0.3349000       3.576700      -2.001300    
 C   -1.277300       1.960800      0.3729000    
 C    1.796000       1.010600      0.9796000    
 C   -2.345900     -5.6600001E-02 -7.5300001E-02
 C    3.534600     -0.5850000       1.216100    
 C    4.567000      -1.297800      0.3929000    
 C   -3.143500     -5.2099999E-02  -1.219700    
 C   -2.752800     -0.7646000       1.055700    
 C   -4.347800     -0.7555000      -1.233100    
 C   -3.957200      -1.468100       1.042100    
 C   -4.754700      -1.463600     -0.1022000    
 C    4.259200      -2.519000     -0.2069000    
 C    5.834300     -0.7391000      0.2269000    
 C    5.218600      -3.181600     -0.9724000    
 C    6.793700      -1.401800     -0.5386000    
 C    6.485800      -2.623000      -1.138300    
 H  -0.7726000       4.596300     -0.1823000    
 H   0.2169000       3.024100       1.406800    
 H    1.599900       4.965200      0.5226000    
 H    1.251200       5.638100      -1.074800    
 H    2.163600       4.130300     -0.9379000    
 H   0.4150000       2.922600      -2.457100    
 H   -1.307500       3.079700      -2.070000    
 H  -0.3926000       4.485800      -2.610200    
 H    1.438700       1.710100     -0.9185000    
 H    4.019400     -2.6000000E-03   2.009500    
 H    2.862200      -1.310500       1.690900    
 H   -2.830900      0.4975000      -2.103400    
 H   -2.134700     -0.7718000       1.949500    
 H   -4.943100     -0.7296000      -2.142200    
 H   -4.242000      -2.008500       1.941200    
 H    3.274700      -2.963200     -8.6800002E-02
 H    6.085400      0.2128000      0.6873000    
 H    4.978800      -4.132200      -1.439900    
 H    7.780300     -0.9667000     -0.6685000    
 H    7.232800      -3.138700      -1.734600    


%chk=000112124-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112124

0 1
O -1.138768 0.749395 -0.146951
O 3.157921 1.181725 -1.022926
O -1.810405 1.695566 1.905963
O 3.079015 1.802877 1.258328
O -5.072864 -3.664890 -2.490925
O -6.266195 -3.078393 -0.636321
N 1.210080 1.956262 -0.158376
N -5.240291 -2.971844 -1.413535
C -0.105978 3.954498 0.705051
C 0.290344 2.437466 0.867291
C 1.147556 4.841648 0.859695
C -0.830316 4.224852 -0.633135
C -0.987314 1.600658 0.977550
C 2.523856 1.658877 0.136171
C -2.217849 -0.151408 -0.359020
C 4.580223 0.724188 -0.837671
C 4.649807 -0.741534 -0.468321
C -2.065857 -0.931511 -1.531128
C -3.353511 -0.286899 0.479214
C -3.056796 -1.861089 -1.883861
C -4.345313 -1.221833 0.122319
C -4.189236 -1.993298 -1.048320
C 4.582423 -1.142032 0.891936
C 4.781680 -1.731499 -1.475043
C 4.640107 -2.510685 1.235127
C 4.840299 -3.100948 -1.132499
C 4.769378 -3.492808 0.224727
H -0.803726 4.170193 1.538591
H 0.815954 2.340664 1.836973
H 1.657834 4.661895 1.822905
H 0.867723 5.909542 0.809837
H 1.873863 4.642462 0.050977
H -0.168358 4.012189 -1.493707
H -1.749857 3.620076 -0.742242
H -1.122362 5.288107 -0.697265
H 0.856229 1.710818 -1.082720
H 5.030333 0.923584 -1.822778
H 5.039329 1.363701 -0.064495
H -1.169591 -0.799663 -2.143229
H -3.454828 0.315754 1.381222
H -2.971464 -2.479663 -2.780447
H -5.236746 -1.359530 0.739652
H 4.471985 -0.376512 1.668290
H 4.837710 -1.428049 -2.527948
H 4.587768 -2.811657 2.287372
H 4.944765 -3.858323 -1.917399
H 4.817246 -4.554330 0.492772


