%chk=000031891.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031891

0 1
 O   -1.153000      0.3100000      -1.212200    
 O   0.2366000       2.111200     -0.9929000    
 N   0.9634000     -1.9200001E-02 -0.3589000    
 N   -3.658200      0.5958000      0.1116000    
 C    2.279800      0.3881000      6.9399998E-02
 C   0.6516000      -1.423000     -0.2397000    
 C    2.183100       1.377200       1.233300    
 C    3.071300      0.9795000      -1.100100    
 C    1.588100      -2.262200      -1.112800    
 C   0.7119000      -1.863400       1.225000    
 C    3.561100       1.865800       1.672500    
 C    4.448400       1.467000     -0.6573000    
 C    1.311000      -3.755500     -0.9601000    
 C   0.4376000      -3.357500       1.375000    
 C    4.349700       2.451300      0.5046000    
 C    1.369700      -4.191900      0.5010000    
 C   3.1700000E-02  0.9051000     -0.8668000    
 C   -2.165000       1.175900      -1.739200    
 C   -3.011200       1.695700     -0.5879000    
 C   -4.825400      0.1215000     -0.6358000    
 C   -4.054100       1.002000       1.462400    
 C   -5.468900      -1.071700      5.0200000E-02
 C   -2.859300       1.498600       2.258700    
 H    2.853800     -0.4703000      0.4330000    
 H  -0.3672000      -1.625300     -0.5867000    
 H    1.583000       2.255600      0.9742000    
 H    1.678500      0.9070000       2.086200    
 H    3.191200      0.2290000      -1.891000    
 H    2.547700       1.823600      -1.560900    
 H    1.467600      -1.977300      -2.165500    
 H    2.642900      -2.093600     -0.8703000    
 H    1.686300      -1.658600       1.681400    
 H  -2.4400000E-02  -1.299900       1.811800    
 H    4.121900       1.030000       2.108700    
 H    3.451900       2.620700       2.459400    
 H    4.960800       1.942500      -1.501200    
 H    5.060100      0.6075000     -0.3565000    
 H   0.3201000      -3.986500      -1.370200    
 H    2.038900      -4.328200      -1.546000    
 H   0.5542000      -3.651000       2.424400    
 H  -0.6038000      -3.566100       1.100100    
 H    3.862600       3.372300      0.1614000    
 H    5.355500       2.727600      0.8404000    
 H    2.398500      -4.094700      0.8692000    
 H    1.100200      -5.251000      0.5808000    
 H   -1.726400       2.007200      -2.304300    
 H   -2.746100      0.6000000      -2.465000    
 H   -3.745100       2.423500     -0.9574000    
 H   -2.319700       2.256800      4.3699998E-02
 H   -5.573900      0.9132000     -0.7682000    
 H   -4.529600     -0.2114000      -1.635800    
 H   -4.833800       1.773800       1.447600    
 H   -4.444900      0.1447000       2.020100    
 H   -4.727800      -1.830300      0.3247000    
 H   -6.036100     -0.7878000      0.9419000    
 H   -6.181800      -1.545800     -0.6339000    
 H   -3.102700       1.477100       3.327500    
 H   -2.598800       2.536600       2.031100    
 H   -1.977000      0.8640000       2.118800    


%chk=000031891-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031891

0 1
O -1.143551 0.137686 -1.414077
O 0.150059 2.075674 -1.131609
N 0.933438 -0.026542 -0.403517
N -3.727167 0.744886 0.117874
C 2.234351 0.529184 0.083739
C 0.679350 -1.493600 -0.273271
C 2.061528 1.580694 1.210979
C 3.110315 1.079686 -1.071466
C 1.709074 -2.336712 -1.070172
C 0.613964 -1.946097 1.208565
C 3.440640 2.054703 1.732335
C 4.483653 1.557285 -0.540417
C 1.379134 -3.845968 -0.968077
C 0.285611 -3.456474 1.303057
C 4.318685 2.607171 0.583954
C 1.301818 -4.309139 0.506163
C 0.015391 0.824805 -0.980269
C -2.236976 1.003421 -1.911022
C -3.012003 1.687099 -0.772310
C -5.022976 0.290452 -0.449512
C -3.833479 1.232986 1.517581
C -5.475432 -1.078669 0.094034
C -2.506491 1.121686 2.293781
H 2.771720 -0.334085 0.524903
H -0.314851 -1.665872 -0.717750
H 1.495709 2.440983 0.810955
H 1.465704 1.141241 2.035021
H 3.245744 0.292676 -1.838511
H 2.577310 1.921866 -1.549614
H 1.709350 -2.011462 -2.128001
H 2.731275 -2.165184 -0.673976
H 1.584496 -1.754221 1.711217
H -0.153324 -1.349365 1.737681
H 3.968839 1.206301 2.217723
H 3.297205 2.827299 2.512486
H 5.080339 1.976657 -1.373510
H 5.053242 0.688956 -0.145626
H 0.405110 -4.041141 -1.462606
H 2.139274 -4.434239 -1.517658
H 0.266947 -3.771563 2.364246
H -0.732732 -3.632298 0.898786
H 3.840746 3.516073 0.164857
H 5.310034 2.911826 0.972531
H 2.304592 -4.214472 0.972942
H 1.024863 -5.379938 0.556446
H -1.812578 1.774684 -2.580269
H -2.871678 0.308091 -2.484583
H -3.709097 2.428306 -1.243687
H -2.289338 2.275225 -0.182684
H -5.831386 1.049827 -0.286099
H -4.899232 0.204495 -1.545698
H -4.206242 2.288952 1.556435
H -4.592506 0.616618 2.032795
H -4.702521 -1.839444 -0.111479
H -5.646731 -1.054090 1.185421
H -6.422047 -1.391682 -0.385246
H -2.639838 1.462775 3.337811
H -1.707140 1.735340 1.839919
H -2.163692 0.071846 2.301981


