%chk=000134339.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134339

0 1
 O   -1.434600       3.022600      0.8132000    
 O   0.4366000       1.989600       1.314300    
 O   -5.106500      -1.587700      -1.099300    
 O   -5.221800      0.5881000     -0.8312000    
 N    3.780300     -0.8393000     -0.6575000    
 N   0.7254000     -0.4687000       1.068100    
 N  -0.7477000       1.978100      0.9041000    
 N   -4.589700     -0.4938000     -0.7666000    
 C    2.945400      -1.329700       1.623700    
 C    3.687400     -0.3478000      0.7117000    
 C    1.524100      -1.665900       1.173600    
 C  -0.5857000     -0.4550000      0.6185000    
 C    4.383400      0.1711000      -1.528600    
 C    4.554900      -2.080700     -0.7083000    
 C   -1.332900      0.7364000      0.5292000    
 C   -1.207900      -1.658400      0.2341000    
 C   -2.651100      0.7238000      7.3200002E-02
 C   -3.247700     -0.4799000     -0.3022000    
 C   -2.526000      -1.671000     -0.2219000    
 C    3.618400       1.421100      -1.488700    
 C    2.995700       2.447300      -1.459500    
 H    3.515400      -2.255500       1.760400    
 H    2.893800     -0.8750000       2.622700    
 H    4.687200     -0.1680000       1.130600    
 H    3.159900      0.6089000      0.7762000    
 H    1.081300      -2.346500       1.910700    
 H    1.564300      -2.191800      0.2129000    
 H    1.098100      0.3739000       1.484400    
 H    5.424700      0.3683000      -1.242500    
 H    4.396100     -0.1944000      -2.562800    
 H    4.028800      -2.912100     -0.2297000    
 H    5.544500      -1.974700     -0.2490000    
 H    4.701600      -2.394800      -1.748800    
 H  -0.6895000      -2.612200      0.2820000    
 H   -3.217500       1.649900      8.6000003E-03
 H   -2.959000      -2.627000     -0.5052000    
 H    2.441300       3.356100      -1.431400    


%chk=000134339-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000134339

0 1
O -1.453789 3.145521 1.058878
O 0.443385 2.075478 1.721733
O -4.978621 -1.386141 -1.457967
O -5.121125 0.848597 -0.996792
N 3.874197 -0.983345 -0.557715
N 0.735483 -0.492285 1.245803
N -0.749299 2.070870 1.167057
N -4.491151 -0.280867 -0.988332
C 2.995471 -1.365378 1.769916
C 3.784113 -0.433801 0.817566
C 1.583393 -1.696349 1.251439
C -0.513504 -0.424004 0.707829
C 4.113988 0.059795 -1.596407
C 4.853382 -2.084114 -0.684978
C -1.280895 0.809980 0.659002
C -1.145342 -1.594934 0.151943
C -2.577435 0.850921 0.104824
C -3.139316 -0.321582 -0.413176
C -2.422953 -1.552091 -0.393631
C 3.068070 1.099489 -1.630395
C 2.217498 1.991089 -1.662019
H 3.537269 -2.319399 1.909310
H 2.939427 -0.890888 2.769731
H 4.794760 -0.239452 1.255424
H 3.273246 0.544023 0.751631
H 1.119356 -2.480659 1.883767
H 1.680794 -2.084275 0.218378
H 1.095726 0.404062 1.614544
H 5.106181 0.563466 -1.462216
H 4.149154 -0.448934 -2.579337
H 4.611898 -2.891829 0.026523
H 5.906693 -1.760091 -0.490881
H 4.805459 -2.511290 -1.702539
H -0.599984 -2.541014 0.164942
H -3.129857 1.793692 0.082867
H -2.896820 -2.444510 -0.810962
H 1.482148 2.775551 -1.686762


