%chk=000173311.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173311

1 1
 O  -0.5490000      -2.453000       1.777500    
 O   -1.047300      -2.687100      -1.769700    
 O  -0.2351000      -4.748900     -0.1928000    
 O    1.894600      -2.051700       3.094600    
 O   -4.418300       2.951100      9.5100001E-02
 O    2.035800       1.488800      -2.731900    
 N   -1.826300     -0.7905000      0.6254000    
 N   -1.995300       1.335200       1.057000    
 N   -3.939800      -1.057800     -0.6330000    
 N   -5.182200      0.9931000     -0.8226000    
 N    2.530300       2.531600      5.8800001E-02
 N   -5.956900      -1.025400      -1.759500    
 N    3.917900       1.551400       1.490800    
 N    4.560900     -0.2334000     -2.3000000E-02
 N    3.528400     -0.1889000      -2.211700    
 N    5.057300      -1.850300      -1.583200    
 C   -1.302000      -2.154400      0.5857000    
 C  -0.3533000      -2.380100     -0.5783000    
 C   0.4939000      -3.527800     -6.9100000E-02
 C   0.6395000      -3.189200       1.410200    
 C   -3.003600     -0.3530000      6.9899999E-02
 C   -1.224100      0.2515000       1.222800    
 C    1.853400      -2.318700       1.703700    
 C   -3.113000      0.9862000      0.3413000    
 C   -1.678500       2.655000       1.561600    
 C  -0.2242000       3.047000       1.306000    
 C   0.1102000       3.124700     -0.1869000    
 C   -4.239900       1.752800     -0.1030000    
 C    1.570000       3.502600     -0.4524000    
 C   -5.029100     -0.2977000      -1.057600    
 C    3.032300       1.457600     -0.6005000    
 C    3.083000       2.555200       1.306600    
 C    3.880900      0.8775000      0.3075000    
 C    2.796400      0.9614000      -1.928600    
 C    4.333000     -0.7146000      -1.310900    
 H   -2.152000      -2.847100      0.5565000    
 H   0.2731000      -1.496600     -0.7516000    
 H    1.438300      -3.644100     -0.6083000    
 H   0.6616000      -4.084100       2.042400    
 H  -0.2857000      0.2100000       1.751600    
 H    1.802000      -1.357500       1.183800    
 H    2.781100      -2.824500       1.420800    
 H   -1.874500       2.647300       2.640100    
 H   -2.329800       3.409900       1.116500    
 H   -1.608600      -1.924000      -1.988200    
 H   0.3160000      -5.455000      0.1859000    
 H   0.4291000       2.333600       1.814900    
 H  -3.9500002E-02   4.025100       1.766800    
 H   -3.901100      -2.046300     -0.8600000    
 H  -0.5378000       3.870100     -0.6632000    
 H  -0.1023000       2.163100     -0.6685000    
 H    1.751600       3.629700      -1.523800    
 H    1.805200       4.463900      2.1000000E-02
 H    1.065800      -1.600900       3.331200    
 H   -6.797400     -0.5907000      -2.124400    
 H   -5.830200      -2.016100      -1.935200    
 H    2.850800       3.318500       2.037000    
 H    5.201000     -0.7101000      0.6034000    
 H    4.989900      -2.311500      -2.483900    
 H    5.676800      -2.261300     -0.8935000    


%chk=000173311-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173311

1 1
O -0.533610 -2.833784 2.079067
O -0.563582 -2.044540 -1.499459
O -0.462609 -4.736804 -0.620314
O 1.414559 -4.118547 3.774610
O -3.827355 3.121410 0.289900
O 0.454021 0.389526 -1.482850
N -1.645070 -0.927301 1.110577
N -1.883644 1.178595 1.780843
N -3.111458 -0.819383 -0.904987
N -4.290754 1.304863 -1.144577
N 2.014610 3.071086 -0.571648
N -4.633209 -0.426624 -2.672257
N 4.282683 2.961147 -0.227685
N 4.561113 0.602581 -0.868821
N 2.565450 -0.593823 -1.468939
N 4.639088 -1.670680 -1.533998
C -1.164936 -2.301927 0.894193
C -0.055034 -2.349413 -0.180547
C 0.448249 -3.795337 0.024483
C 0.325814 -4.001251 1.558178
C -2.535143 -0.305635 0.236571
C -1.239950 0.005111 2.035745
C 1.635462 -3.954764 2.342886
C -2.727159 1.002628 0.666145
C -1.520018 2.517189 2.338367
C -0.279949 3.093130 1.596767
C -0.458656 3.109157 0.060949
C -3.646580 1.915917 -0.051275
C 0.696066 3.737470 -0.738648
C -4.020939 0.064285 -1.553047
C 2.402358 1.744327 -0.880310
C 3.171017 3.739508 -0.194255
C 3.800363 1.744004 -0.654032
C 1.732327 0.520395 -1.297896
C 3.897944 -0.542883 -1.293242
H -2.036591 -2.914925 0.582615
H 0.743105 -1.639257 0.107084
H 1.486883 -3.921786 -0.338535
H -0.237675 -4.925560 1.771264
H -0.539146 -0.190684 2.839507
H 2.180098 -3.009884 2.119759
H 2.268568 -4.809088 2.048111
H -1.327924 2.406231 3.418760
H -2.399892 3.162986 2.182910
H -0.129233 -1.140822 -1.756529
H -0.538630 -4.480165 -1.577009
H 0.622871 2.514107 1.875941
H -0.133615 4.121491 1.980945
H -2.575550 -1.549551 -1.412708
H -1.370398 3.680802 -0.195096
H -0.595547 2.084967 -0.328185
H 0.435221 3.719950 -1.812057
H 0.848453 4.792829 -0.448780
H 0.737946 -3.459346 4.075310
H -5.254145 0.208465 -3.172452
H -4.585126 -1.404822 -2.950036
H 3.170776 4.790337 0.086497
H 5.573455 0.650957 -0.725733
H 4.145952 -2.478459 -1.908690
H 5.651973 -1.706806 -1.442288


