%chk=000155790.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155790

1 1
 O   -1.428800      -2.495000     -0.2672000    
 O   0.5492000      -4.249200      3.9600000E-02
 O   -2.766400     -0.9911000       1.008600    
 O   -4.629100      0.8815000      0.6553000    
 N    3.212900       1.681100     -4.9699999E-02
 C    1.730200       1.305200      0.2549000    
 C    4.112200      0.7186000      0.7440000    
 C    1.417800     -0.1845000      0.1859000    
 C   0.7512000       2.101800     -0.6298000    
 C    3.897800     -0.7257000      0.3125000    
 C    2.452200      -1.136000      0.2567000    
 C    3.518500       3.098300      0.4560000    
 C    3.555700       1.629400      -1.539600    
 C   6.0100000E-02 -0.5937000      0.1189000    
 C  -0.6805000       1.759400     -0.2803000    
 C   -1.010800      0.4320000      7.5099997E-02
 C    2.139300      -2.499200      0.2126000    
 C  -0.2116000      -1.972500      7.7500001E-02
 C   0.8160000      -2.914300      0.1234000    
 C   -1.671800       2.749100     -0.3613000    
 C   -2.354700      0.1553000      0.3842000    
 C   -3.335100       1.149700      0.3174000    
 C   -2.995200       2.443800     -5.9900001E-02
 C   -1.639700      -2.774200      -1.646900    
 C   -5.489300      0.4301000     -0.3878000    
 H    1.577900       1.594100       1.305600    
 H    3.862900      0.8504000       1.804600    
 H    5.154300       1.021300      0.5891000    
 H   0.8861000       1.869800      -1.693200    
 H   0.9050000       3.177400     -0.4975000    
 H    4.432100      -1.372200       1.020000    
 H    4.347600     -0.8962000     -0.6730000    
 H    3.254000       3.155300       1.515700    
 H    4.587700       3.287500      0.3191000    
 H    2.939400       3.818700     -0.1260000    
 H    3.197000      0.6879000      -1.961900    
 H    3.074600       2.473600      -2.041300    
 H    4.641700       1.710800      -1.644900    
 H    2.941000      -3.234100      0.2379000    
 H   -1.414400       3.763500     -0.6548000    
 H   -3.752200       3.221300     -0.1120000    
 H    1.384900      -4.745100      7.6700002E-02
 H   -3.716600     -0.9361000       1.207300    
 H   -1.062800      -3.647600      -1.964400    
 H   -1.381300      -1.909600      -2.267500    
 H   -2.701500      -2.994300      -1.790000    
 H   -6.473900      0.2284000      4.2800002E-02
 H   -5.106400     -0.4935000     -0.8337000    
 H   -5.594700       1.202000      -1.156700    


%chk=000155790-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000155790

1 1
O -1.121739 -2.356584 -1.466761
O 0.967759 -4.247451 -1.055725
O -2.574018 -1.281636 0.528159
O -4.523925 0.439310 0.388902
N 3.129818 1.777190 0.164976
C 1.628797 1.326789 0.147361
C 3.893427 0.832502 1.120869
C 1.499966 -0.186581 -0.036012
C 0.796183 2.040104 -0.946677
C 3.948916 -0.594035 0.575030
C 2.581058 -1.080120 0.120312
C 3.234968 3.191565 0.722798
C 3.752142 1.742353 -1.226310
C 0.197871 -0.666855 -0.400688
C -0.657528 1.667973 -0.693299
C -0.933927 0.295925 -0.386377
C 2.387839 -2.451395 -0.165606
C 0.045006 -2.026532 -0.803425
C 1.155372 -2.919584 -0.655360
C -1.677169 2.634247 -0.714578
C -2.251160 -0.030651 0.017544
C -3.284501 0.956845 -0.023417
C -3.014600 2.279103 -0.407021
C -1.815959 -3.643559 -1.210240
C -5.688902 1.333597 0.379508
H 1.248212 1.644170 1.141168
H 3.344534 0.868787 2.078043
H 4.900080 1.261264 1.266152
H 1.119032 1.688611 -1.946345
H 0.904525 3.138376 -0.909742
H 4.329189 -1.238915 1.389792
H 4.695349 -0.671271 -0.239913
H 2.872237 3.196145 1.761886
H 4.289175 3.508487 0.693958
H 2.627955 3.876436 0.114628
H 3.529556 0.778811 -1.704353
H 3.331050 2.559151 -1.828983
H 4.840710 1.878200 -1.127235
H 3.224293 -3.152783 -0.044714
H -1.442130 3.672926 -0.969969
H -3.805800 3.032930 -0.439144
H 1.792883 -4.781993 -0.943564
H -3.544288 -1.273693 0.760585
H -1.988454 -3.764076 -0.127967
H -1.233073 -4.485616 -1.610811
H -2.775274 -3.539603 -1.737638
H -6.531608 0.717035 0.721825
H -5.885242 1.706070 -0.642707
H -5.536107 2.181233 1.073084


