%chk=000022604.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022604

0 1
 O    5.354600      -2.009700      0.1436000    
 O    5.589100     -4.8500001E-02 -0.8141000    
 N   -1.351000     -0.6368000       1.394500    
 N   -3.115900      -2.401700      -1.085100    
 N    1.148300       2.107400     -0.5524000    
 N    4.886300     -0.9063000     -0.2271000    
 C   -3.372400      -1.984500       1.344300    
 C  -0.5036000      0.2937000      0.7343000    
 C   -2.771100     -0.5801000       1.300300    
 C   -2.865400      -2.929600      0.2506000    
 C   0.8377000     -3.0600000E-02  0.5067000    
 C   -1.018000       1.525700      0.3180000    
 C    1.638800      0.9193000     -0.1492000    
 C  -0.1444000       2.414700     -0.3306000    
 C    1.381300      -1.261300      0.9144000    
 C   -2.361800       1.877800      0.5338000    
 C    2.975100      0.6023000     -0.3788000    
 C  -0.6507000       3.642900     -0.7475000    
 C    3.518500     -0.6197000      2.5000000E-02
 C    2.720200      -1.553800      0.6729000    
 C   -4.553800      -2.264300      -1.323800    
 C   -2.513000      -3.264800      -2.102400    
 C   -2.843100       3.111900      0.1072000    
 C   -1.985500       3.996100     -0.5347000    
 H   -4.466700      -1.920600       1.340100    
 H   -3.116400      -2.441300       2.310600    
 H   -3.195300     -7.7600002E-02   2.177400    
 H   -3.142800     -0.2222000      0.3366000    
 H   -3.337500      -3.912400      0.3823000    
 H   -1.788500      -3.084900      0.3925000    
 H  -0.9347000      -1.342100       1.988000    
 H   0.7969000      -2.028900       1.411900    
 H   -3.085600       1.466200       1.206000    
 H    3.590600       1.343200     -0.8878000    
 H   2.2000000E-03   4.354100      -1.250400    
 H    3.103300      -2.516500       1.000300    
 H   -5.002000      -1.481000     -0.7055000    
 H   -5.095400      -3.202500      -1.155900    
 H   -4.738000      -1.953200      -2.359300    
 H   -2.933900      -4.276800      -2.088600    
 H   -1.430100      -3.338500      -1.951600    
 H   -2.660100      -2.842500      -3.102600    
 H   -3.866700       3.408000      0.3186000    
 H   -2.347800       4.966700     -0.8606000    


%chk=000022604-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022604

0 1
O 5.307276 -2.169442 0.356578
O 5.587366 -0.258460 -0.856947
N -1.452044 -0.508924 1.605950
N -3.310921 -2.354924 -1.066609
N 1.122640 1.981483 -0.778101
N 4.867446 -1.062046 -0.148522
C -3.222074 -2.244577 1.446491
C -0.634319 0.337520 0.871462
C -2.908588 -0.732485 1.463731
C -2.719664 -2.939954 0.158648
C 0.741243 -0.045992 0.632529
C -1.082400 1.604348 0.344994
C 1.569116 0.828097 -0.188298
C -0.168804 2.358362 -0.510670
C 1.326367 -1.259210 1.135986
C -2.350636 2.202557 0.665578
C 2.938362 0.469601 -0.429521
C -0.616964 3.597687 -1.090270
C 3.451227 -0.705806 0.107403
C 2.653766 -1.595789 0.894567
C -4.726643 -2.725903 -1.267875
C -2.496694 -2.612432 -2.273933
C -2.737074 3.423822 0.115937
C -1.873168 4.116757 -0.795129
H -4.316383 -2.371215 1.549769
H -2.773259 -2.745130 2.330441
H -3.467066 -0.245307 2.288867
H -3.245373 -0.309063 0.502254
H -2.916452 -4.040003 0.236784
H -1.621582 -2.817425 0.088645
H -0.974554 -1.248663 2.123476
H 0.733625 -1.965927 1.729054
H -3.012601 1.718287 1.386053
H 3.554320 1.136277 -1.037421
H 0.087908 4.115291 -1.747759
H 3.101325 -2.515228 1.277844
H -5.337466 -2.417888 -0.401445
H -4.872798 -3.825657 -1.419494
H -5.121296 -2.202408 -2.156464
H -2.435017 -3.696001 -2.546233
H -1.469897 -2.236954 -2.118777
H -2.929319 -2.070811 -3.133906
H -3.701628 3.863900 0.390867
H -2.195604 5.066934 -1.234633


