%chk=000085555.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085555

0 1
 O    2.590100     -0.9540000      0.2583000    
 O   -4.132500      -2.276700     -0.6244000    
 O   -4.308800       2.175900      0.6449000    
 N   -3.700100     -2.8100001E-02  4.1999999E-03
 N    2.746400       1.229600     -0.3282000    
 C   -2.269000      3.3000000E-02 -1.1200000E-02
 C   0.5238000      0.1510000     -3.9900001E-02
 C    1.959300      0.2123000     -5.5100001E-02
 C   -1.519600      -1.103200      0.2944000    
 C   -1.624700       1.228200     -0.3312000    
 C  -0.1261000      -1.044200      0.2802000    
 C  -0.2311000       1.287000     -0.3455000    
 C    3.915100     -0.6347000      0.1739000    
 C    4.006800      0.7019000     -0.1852000    
 C   -4.451700      -1.150800     -0.2788000    
 C   -4.538300       1.026700      0.3047000    
 C    5.001900      -1.470300      0.3993000    
 C    5.276500       1.276700     -0.3389000    
 C   -5.863200     -0.7645000     -0.1384000    
 C   -5.914500      0.5214000      0.1946000    
 C    6.261300     -0.8816000      0.2419000    
 C    6.398400      0.4643000     -0.1197000    
 H   -1.987700      -2.041700      0.5749000    
 H   -2.175900       2.123700     -0.6009000    
 H   0.4218000      -1.949400      0.5302000    
 H   0.2490000       2.228000     -0.6038000    
 H    4.885000      -2.509900      0.6785000    
 H    5.394600       2.318200     -0.6188000    
 H   -6.695900      -1.429200     -0.2955000    
 H   -6.797300       1.112900      0.3705000    
 H    7.153000      -1.482500      0.4040000    
 H    7.393100      0.8882000     -0.2330000    


%chk=000085555-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085555

0 1
O 2.672709 -1.073133 0.294240
O -4.169129 -2.296873 -0.646166
O -4.265398 2.246415 0.653039
N -3.765605 -0.015049 0.001204
N 2.752130 1.167828 -0.313986
C -2.329495 0.016842 -0.004569
C 0.503551 0.078650 -0.018890
C 1.959760 0.136118 -0.034098
C -1.592332 -1.149344 0.327159
C -1.646660 1.215327 -0.343410
C -0.187345 -1.116731 0.313584
C -0.243114 1.243460 -0.344039
C 4.031788 -0.698422 0.192577
C 4.075542 0.676705 -0.180272
C -4.578819 -1.159925 -0.314858
C -4.626645 1.093042 0.322746
C 5.168247 -1.485186 0.406684
C 5.320239 1.318249 -0.353081
C -6.009161 -0.717923 -0.177260
C -6.036921 0.588389 0.193151
C 6.410533 -0.828211 0.229697
C 6.483574 0.544926 -0.142237
H -2.113352 -2.075238 0.577460
H -2.209818 2.117672 -0.588420
H 0.382648 -2.015315 0.566296
H 0.295622 2.160470 -0.600997
H 5.104375 -2.538273 0.692079
H 5.370963 2.372500 -0.638741
H -6.833445 -1.405075 -0.367236
H -6.889575 1.238510 0.388188
H 7.337213 -1.391169 0.383082
H 7.467622 1.008964 -0.266928


