%chk=000021128.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021128

0 1
 O    5.366300     -1.0900000E-02  0.1330000    
 O    3.822100      -2.269300      0.5640000    
 O    4.133700       2.417200     -0.3723000    
 O   -2.368100     -0.1633000      4.5100000E-02
 O  -0.8846000      -1.865700      0.4075000    
 N  -0.1701000      0.3271000     -1.8999999E-02
 N   -7.160900       1.005600     -0.2627000    
 C    1.222100      0.2419000      1.9400001E-02
 C    4.005900      7.2200000E-02  9.6600004E-02
 C    3.231500      -1.067600      0.3128000    
 C    3.388600       1.297000     -0.1577000    
 C    1.839600     -0.9827000      0.2744000    
 C    1.996600       1.381800     -0.1964000    
 C   -3.450200      -1.086700      0.2121000    
 C   -4.749200     -0.3542000      4.5800000E-02
 C   -1.108000     -0.6853000      0.1689000    
 C   -5.326700     -0.2530000      -1.209700    
 C   -5.363800      0.2165000       1.148900    
 C    6.068700      0.3551000      -1.052400    
 C    4.123500      -3.091200     -0.5620000    
 C    4.470800       3.200100      0.7711000    
 C   -6.526200      0.4333000      -1.310300    
 C   -6.561600      0.8819000      0.9428000    
 H    1.298800      -1.902300      0.4520000    
 H    1.522000       2.339700     -0.3966000    
 H  -0.5529000       1.250100     -0.2094000    
 H   -3.397100      -1.542400       1.208700    
 H   -3.369900      -1.889100     -0.5318000    
 H   -4.866100     -0.6885000      -2.089500    
 H   -4.932700      0.1538000       2.141800    
 H    6.410100       1.391600     -0.9814000    
 H    5.462700      0.2138000      -1.954200    
 H    6.951400     -0.2865000      -1.131900    
 H    4.595800      -4.008400     -0.1997000    
 H    3.207100      -3.357700      -1.098000    
 H    4.819000      -2.582900      -1.236900    
 H    5.055400       2.610400       1.484200    
 H    3.565900       3.583500       1.253000    
 H    5.076500       4.047800      0.4392000    
 H   -7.023600      0.5448000      -2.268100    
 H   -7.087000       1.348600       1.769500    


%chk=000021128-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021128

0 1
O 5.056751 0.009701 0.268909
O 3.225693 -2.215869 0.557867
O 4.003560 2.476690 -0.818756
O -2.563862 0.206901 -1.775319
O -1.387837 -1.573102 -0.758176
N -0.386151 0.515639 -1.272814
N -6.065042 0.079085 1.942337
C 0.960389 0.347166 -0.843521
C 3.683298 0.141304 -0.060794
C 2.794130 -0.957248 0.103707
C 3.170203 1.361318 -0.584177
C 1.439354 -0.861191 -0.284658
C 1.823729 1.463965 -0.980226
C -3.807148 -0.624213 -1.739085
C -4.592059 -0.383098 -0.465430
C -1.416195 -0.401644 -1.211804
C -5.633293 0.576005 -0.416110
C -4.304658 -1.109467 0.718351
C 5.922216 -0.158263 -0.925792
C 3.927502 -2.253484 1.860640
C 4.686780 3.027003 0.376075
C -6.334862 0.771543 0.795418
C -5.058286 -0.845338 1.883763
H 0.786223 -1.725644 -0.158570
H 1.474694 2.417457 -1.390757
H -0.640243 1.421659 -1.672352
H -3.514340 -1.683915 -1.837114
H -4.362454 -0.291633 -2.629901
H -5.896313 1.163170 -1.303345
H -3.502966 -1.854910 0.726864
H 5.832390 0.720554 -1.590140
H 5.643207 -1.079129 -1.470070
H 6.949596 -0.242540 -0.539157
H 4.186791 -3.312194 2.012896
H 4.834540 -1.627114 1.838983
H 3.247096 -1.914910 2.665537
H 5.303710 2.254847 0.867194
H 3.939191 3.425744 1.087986
H 5.316343 3.846086 -0.003517
H -7.146182 1.505345 0.862278
H -4.860095 -1.390177 2.813580


