%chk=000044846.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044846

0 1
 O    1.404700       1.781700      -1.039700    
 O  -0.3628000      0.9948000      -2.270900    
 N   -3.212800       1.852300       1.073300    
 C   7.9700001E-02  1.3800000E-02 -4.9199998E-02
 C  -0.9267000      0.8608000      0.8758000    
 C   -2.261100       1.220300      0.1602000    
 C  -0.5502000      -1.338400     -0.5154000    
 C    1.400400     -0.3891000      0.6749000    
 C  -0.3041000       2.155700       1.448200    
 C   0.3410000      0.9526000      -1.266700    
 C   -1.401100      -1.961800      0.3441000    
 C    2.532400     -0.4700000     -7.8800000E-02
 C  -0.2045000      -1.798200      -1.748500    
 C    1.335600     -0.6332000       2.013600    
 C   -3.580500      0.9300000       2.147000    
 C   -4.403500       2.291800      0.3468000    
 C   -1.963500      -3.168600     -7.1800001E-02
 C    3.714100     -0.8301000      0.5689000    
 C  -0.7671000      -3.004900      -2.164300    
 C    2.517400     -0.9933000       2.661200    
 C   -1.646600      -3.690000      -1.326000    
 C    3.706600      -1.091700       1.938800    
 C    1.676900       2.743000      -2.064700    
 C    2.875800       3.572400      -1.656900    
 H   -1.162600      0.2600000       1.752000    
 H   -2.713600      0.3398000     -0.3090000    
 H   -2.046800       1.931700     -0.6458000    
 H  -0.9174000       2.558600       2.261500    
 H   0.6944000       1.996700       1.862300    
 H  -0.2275000       2.936400      0.6841000    
 H   -1.653400      -1.617000       1.336600    
 H    2.568000     -0.3298000      -1.152900    
 H   0.5067000      -1.315400      -2.407700    
 H   0.4346000     -0.5964000       2.610000    
 H   -4.410800       1.342800       2.733600    
 H   -3.899900     -4.8200000E-02   1.769600    
 H   -2.773100      0.7917000       2.871500    
 H   -4.937400       1.454900     -0.1180000    
 H   -5.095500       2.811600       1.018900    
 H   -4.135400       3.008700     -0.4374000    
 H   -2.642400      -3.706600      0.5836000    
 H    4.637700     -0.9198000      4.4000000E-03
 H  -0.5127000      -3.416700      -3.136600    
 H    2.511100      -1.203900       3.726800    
 H   -2.081500      -4.631700      -1.648300    
 H    4.625900      -1.376500       2.442200    
 H    1.889100       2.223000      -3.005400    
 H   0.8045000       3.392800      -2.195700    
 H    3.751600       2.933100      -1.503200    
 H    2.685100       4.083200     -0.7072000    
 H    3.112600       4.319600      -2.419300    


%chk=000044846-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044846

0 1
O 1.658757 1.778388 -1.038466
O -0.340436 1.463248 -2.152649
N -3.406573 1.565165 1.095750
C 0.094343 0.172535 -0.061063
C -0.979580 0.950031 0.832580
C -2.379057 1.035785 0.160112
C -0.528421 -1.160737 -0.578244
C 1.372913 -0.219917 0.733126
C -0.521436 2.369925 1.243283
C 0.429498 1.154560 -1.208078
C -0.792789 -2.172803 0.385018
C 2.430855 -0.852240 0.026321
C -0.834743 -1.434084 -1.934887
C 1.510726 -0.070007 2.133853
C -3.878357 0.553797 2.063837
C -4.535137 2.201094 0.385965
C -1.356959 -3.409203 0.010745
C 3.589596 -1.301896 0.687005
C -1.387642 -2.680379 -2.313103
C 2.671929 -0.522993 2.804846
C -1.657186 -3.672730 -1.346256
C 3.719077 -1.137374 2.087138
C 1.999302 2.843872 -2.033758
C 3.351542 3.411411 -1.616055
H -1.092079 0.331535 1.745347
H -2.675855 0.038154 -0.238765
H -2.313338 1.718854 -0.705287
H -1.261314 2.788058 1.946288
H 0.478864 2.381828 1.706104
H -0.493109 3.041193 0.364034
H -0.533488 -1.999985 1.435817
H 2.337882 -1.001063 -1.056028
H -0.670250 -0.669569 -2.697630
H 0.720396 0.399654 2.726181
H -4.586357 1.020229 2.772440
H -4.393160 -0.312831 1.575051
H -3.032370 0.154666 2.650320
H -5.122477 1.488536 -0.247795
H -5.228788 2.652076 1.119284
H -4.157110 3.006509 -0.267761
H -1.550845 -4.170472 0.775053
H 4.389292 -1.786227 0.115062
H -1.613596 -2.868178 -3.369154
H 2.752419 -0.392904 3.890237
H -2.088828 -4.635314 -1.642624
H 4.617847 -1.487986 2.606750
H 2.019905 2.383991 -3.038435
H 1.193943 3.600702 -2.020263
H 4.124809 2.624587 -1.613277
H 3.299001 3.847866 -0.604267
H 3.659784 4.203140 -2.323202


