%chk=000040290.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040290

0 1
 O   -1.272100       2.251700     -0.8677000    
 O   6.9999998E-04  0.3817000      -1.084700    
 O    3.607200      -1.581200      0.8385000    
 N   -3.871900     -7.3700003E-02  0.3995000    
 N   0.8848000       2.283600     -1.2600000E-02
 C   -3.853100      -1.036800     -0.7104000    
 C   -4.022100     -0.7561000       1.692500    
 C   -5.138500      -1.865100     -0.7438000    
 C   -5.313100      -1.575100       1.737600    
 C   -5.377900      -2.571500      0.5858000    
 C   -2.657900      0.7420000      0.3895000    
 C   -2.486000       1.503200     -0.9272000    
 C   -3.618800       2.483600      -1.203400    
 C  -0.1133000       1.534800     -0.6759000    
 C   0.6153000       3.660800      0.4263000    
 C    2.181700       1.690500      0.2367000    
 C    2.247400      0.3345000      0.4158000    
 C    3.271900       2.518300      0.2787000    
 C   0.9739000       4.665900     -0.6487000    
 C    3.497200     -0.2368000      0.6550000    
 C    3.298000      -3.755900     -0.1260000    
 C    2.656300      -2.407700      0.1691000    
 C    4.521700       1.947000      0.5179000    
 C    2.337800      -4.688600     -0.8587000    
 C    4.634300      0.5694000      0.7060000    
 C    2.996400      -6.018400      -1.189600    
 H   -3.813900     -0.5417000      -1.684000    
 H   -2.983400      -1.703200     -0.6397000    
 H   -3.164600      -1.412700       1.891000    
 H   -4.059700     -1.5900001E-02   2.501000    
 H   -5.991600      -1.212300     -0.9690000    
 H   -5.081600      -2.606000      -1.549400    
 H   -5.379700      -2.109000       2.692300    
 H   -6.177700     -0.9010000       1.686900    
 H   -4.616600      -3.347900      0.7300000    
 H   -6.352000      -3.072600      0.5758000    
 H   -2.696200       1.474100       1.207900    
 H   -1.787900      0.1107000      0.6053000    
 H   -2.388400      0.8413000      -1.792900    
 H   -3.713900       3.209500     -0.3882000    
 H   -4.578700       1.976300      -1.335500    
 H   -3.407900       3.061400      -2.110200    
 H  -0.4418000       3.768100      0.6930000    
 H    1.177300       3.860100       1.346500    
 H    1.363700     -0.2836000      0.5035000    
 H    3.243300       3.591800      0.1668000    
 H   0.2822000       4.573700      -1.494100    
 H    1.976800       4.560200      -1.063700    
 H   0.8748000       5.683500     -0.2571000    
 H    4.205800      -3.601300     -0.7229000    
 H    3.631700      -4.214600      0.8131000    
 H    1.781700      -2.542600      0.8160000    
 H    2.340700      -1.966600     -0.7855000    
 H    1.450100      -4.868800     -0.2412000    
 H    1.996400      -4.218300      -1.788200    
 H    5.407100       2.574600      0.5638000    
 H    5.610300      0.1302000      0.8931000    
 H    2.290500      -6.671300      -1.712300    
 H    3.323500      -6.531200     -0.2794000    
 H    3.868400      -5.874400      -1.835600    


%chk=000040290-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040290

0 1
O -1.282625 2.279603 -0.145881
O -0.129907 0.315954 -0.685220
O 4.253356 -1.529938 -0.206528
N -4.187344 -0.082580 0.389772
N 0.992860 2.211501 0.224388
C -3.706116 -1.395028 -0.121988
C -5.172400 -0.255223 1.489033
C -4.878334 -2.245578 -0.649428
C -6.390024 -1.074414 1.013658
C -5.944329 -2.443898 0.451858
C -3.072646 0.827346 0.740134
C -2.560749 1.580824 -0.511258
C -3.518932 2.662552 -1.001486
C -0.114935 1.495286 -0.234175
C 0.781049 3.591125 0.758869
C 2.340098 1.688450 0.164535
C 2.591623 0.299102 -0.010645
C 3.440794 2.577080 0.310606
C 0.792603 4.681882 -0.331328
C 3.922130 -0.177392 -0.033977
C 3.787648 -3.871272 -0.598086
C 3.151704 -2.493884 -0.400793
C 4.760769 2.072819 0.291759
C 2.723163 -4.973758 -0.809029
C 5.020964 0.702125 0.122427
C 3.353273 -6.368801 -1.008998
H -2.965597 -1.218003 -0.922237
H -3.176424 -1.961765 0.689465
H -4.710130 -0.771286 2.372575
H -5.497074 0.747331 1.825265
H -5.332764 -1.730710 -1.517990
H -4.493699 -3.222163 -1.001413
H -7.095513 -1.207102 1.856546
H -6.914211 -0.504099 0.222157
H -5.513952 -3.055171 1.272500
H -6.814030 -3.001686 0.055914
H -3.432501 1.572679 1.474602
H -2.218457 0.281589 1.207257
H -2.323402 0.856291 -1.310033
H -3.629079 3.462093 -0.246593
H -4.506196 2.199150 -1.173461
H -3.164860 3.115592 -1.943271
H -0.190597 3.603748 1.274832
H 1.560993 3.774099 1.516834
H 1.747628 -0.374145 -0.148506
H 3.293671 3.653313 0.417236
H -0.039563 4.522847 -1.037582
H 1.737721 4.684468 -0.901731
H 0.664813 5.677941 0.131576
H 4.468326 -3.832911 -1.470166
H 4.409865 -4.111810 0.285411
H 2.489170 -2.485484 0.490023
H 2.551697 -2.199129 -1.286532
H 2.038656 -4.998217 0.063346
H 2.098323 -4.719962 -1.689420
H 5.597587 2.771227 0.402927
H 6.037664 0.300308 0.100902
H 2.579451 -7.142969 -1.162654
H 3.955573 -6.661271 -0.128467
H 4.021822 -6.378078 -1.890234


