%chk=000146030.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146030

0 1
 O   0.8937000      -2.209500      0.8307000    
 O    5.020700     -0.3867000     -0.7215000    
 O    3.625500      -2.319100      0.6797000    
 O   -4.985400      -1.300800     -0.7277000    
 O   -4.316500     -0.1698000       1.687000    
 N   0.5100000       2.246400       1.523600    
 C  -0.4671000       2.334400      0.4274000    
 C   0.1872000       2.906300     -0.8560000    
 C   0.8513000       1.936500      -1.842300    
 C   -1.277600       1.041300      0.2461000    
 C    1.585300      0.7965000      -1.189700    
 C   0.8675000     -0.1934000     -0.4869000    
 C  -0.6180000     -0.1052000     -0.3975000    
 C    1.564000      -1.234000      0.1476000    
 C    2.982400      0.7185000      -1.257400    
 C   -2.523400       1.023400      0.7563000    
 C   -1.257900      -1.102300      -1.038700    
 C    3.662400     -0.3261000     -0.6315000    
 C    2.955100      -1.299100      7.1000002E-02
 C  -0.1641000       1.970200       2.778000    
 C   -3.530000     -6.3699998E-02  0.7479000    
 C   -2.670100      -1.299600      -1.237500    
 C   -3.684900     -0.9082000     -0.4584000    
 C   0.6483000      -1.975200       2.214300    
 C    5.767400      0.2767000      0.2962000    
 C   -5.625700     -0.3573000      -1.560800    
 H   -1.163300       3.135400      0.7224000    
 H   0.9283000       3.665700     -0.5688000    
 H  -0.5776000       3.463300      -1.415500    
 H   9.4599999E-02   1.523600      -2.522600    
 H    1.529200       2.505300      -2.491600    
 H    1.010200       3.131700       1.602200    
 H    3.544900       1.476500      -1.797900    
 H   -2.881800       1.900400       1.294600    
 H  -0.6732000      -1.877000      -1.538100    
 H  -0.9496000       2.700500       3.000200    
 H  -0.5769000      0.9592000       2.826000    
 H   0.5685000       2.034200       3.590100    
 H   -2.906100      -1.929400      -2.094800    
 H    2.976400      -2.917100       1.088400    
 H  -0.2708000      -1.396000       2.334700    
 H    1.483900      -1.454700       2.694200    
 H   0.5131000      -2.942700       2.705700    
 H    6.831400      0.1313000      9.0599999E-02
 H    5.540000     -0.1464000       1.279800    
 H    5.553300       1.350200      0.2905000    
 H   -5.679900      0.6270000      -1.082400    
 H   -6.649500     -0.6994000      -1.740200    
 H   -5.124300     -0.2757000      -2.531600    


%chk=000146030-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146030

0 1
O 1.196030 -2.058183 0.946034
O 5.196338 0.105560 -0.862440
O 3.823864 -2.102930 0.652575
O -4.796042 -1.636561 -1.138778
O -5.016839 0.813839 0.316763
N 0.373163 2.095397 1.647083
C -0.534017 2.445547 0.539518
C 0.200700 3.167053 -0.633266
C 0.837647 2.228962 -1.693628
C -1.319387 1.194040 0.062309
C 1.635573 1.098613 -1.072020
C 0.941870 0.068263 -0.364930
C -0.557291 0.023201 -0.335010
C 1.731938 -0.955004 0.209149
C 3.039693 1.064429 -1.176972
C -2.708850 1.313687 0.126067
C -1.133488 -1.185745 -0.766738
C 3.820981 0.024085 -0.615155
C 3.145783 -1.009571 0.084383
C -0.189023 2.134181 3.000283
C -3.853381 0.429713 -0.093297
C -2.485765 -1.569376 -0.971330
C -3.690336 -0.886834 -0.761393
C 0.602615 -1.690728 2.255503
C 6.146257 -0.580796 0.035263
C -6.111231 -1.020398 -1.444966
H -1.291741 3.169923 0.917932
H 0.977079 3.824763 -0.192056
H -0.523952 3.827923 -1.145625
H 0.026779 1.810376 -2.321155
H 1.480376 2.830246 -2.361967
H 1.329186 2.443239 1.551437
H 3.573850 1.847262 -1.725356
H -3.077530 2.277427 0.510579
H -0.411491 -1.965698 -1.036327
H -0.581784 3.136175 3.300168
H -1.028696 1.417969 3.088626
H 0.580736 1.834436 3.733584
H -2.629693 -2.572477 -1.394202
H 3.107705 -2.700149 1.014818
H -0.213333 -0.961906 2.118079
H 1.375863 -1.258182 2.918336
H 0.211574 -2.629597 2.676211
H 7.137282 -0.246696 -0.308357
H 6.051344 -1.674725 -0.042737
H 5.983705 -0.275564 1.085319
H -6.538805 -0.549619 -0.549665
H -6.714578 -1.867246 -1.806125
H -5.999779 -0.262228 -2.240728


