%chk=000176799.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176799

0 1
 O    3.708700      0.2430000      0.3810000    
 O   -4.561700     -0.6045000     -0.2055000    
 N   -1.828000     -0.1493000      0.2451000    
 N   -3.688100     -0.3911000      -1.257000    
 C    2.348600      0.1466000      0.3474000    
 C    1.570300       1.298800      0.2373000    
 C    1.735900      -1.104200      0.4238000    
 C   0.1793000       1.200200      0.2031000    
 C   0.3449000      -1.202800      0.3896000    
 C  -0.4334000     -5.0500002E-02  0.2793000    
 C    2.207600       2.646700      0.1543000    
 C    2.552100      -2.349200      0.5422000    
 C    4.391300      0.1932000     -0.8695000    
 C    5.767000     -0.4017000     -0.6570000    
 C   -2.365300     -0.2775000     -0.9295000    
 C   -5.471000      0.4890000     -0.2093000    
 C   -6.458200      0.3133000      0.9248000    
 H  -0.4324000       2.095300      0.1158000    
 H  -0.1384000      -2.175400      0.4477000    
 H    3.028700       2.739400      0.8729000    
 H    2.591400       2.822100     -0.8555000    
 H    1.493100       3.443500      0.3883000    
 H    3.025200      -2.585600     -0.4161000    
 H    3.326900      -2.236100       1.307900    
 H    1.938800      -3.208000      0.8359000    
 H    3.839800     -0.4096000      -1.601100    
 H    4.484300       1.211500      -1.261500    
 H    6.326200     -0.4388000      -1.596100    
 H    6.334900      0.1891000      6.9200002E-02
 H    5.690100      -1.415900     -0.2515000    
 H   -1.740300     -0.2910000      -1.841300    
 H   -4.032100     -0.5577000      -2.196400    
 H   -4.924600       1.430600     -7.5400002E-02
 H   -6.012100      0.5221000      -1.162700    
 H   -7.174500       1.139300      0.9514000    
 H   -7.007800     -0.6275000      0.8154000    
 H   -5.936400      0.2669000       1.886400    


%chk=000176799-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176799

0 1
O 3.604740 0.034284 0.457898
O -4.863940 -0.702576 -0.075740
N -2.025047 -0.242726 -0.181998
N -3.988896 -1.185799 -1.119760
C 2.197349 -0.038250 0.235864
C 1.412820 1.145164 0.326026
C 1.604947 -1.314483 0.033936
C 0.012483 1.031999 0.182687
C 0.201285 -1.389419 -0.110917
C -0.609904 -0.219586 -0.062793
C 2.065540 2.489128 0.593778
C 2.464823 -2.565015 0.009652
C 4.405863 0.307833 -0.760493
C 5.874893 0.309140 -0.343112
C -2.610797 -1.088225 -0.986909
C -5.077765 0.774698 -0.219971
C -6.031657 1.153803 0.909940
H -0.624850 1.919234 0.263635
H -0.271896 -2.374014 -0.215351
H 2.970634 2.365151 1.212378
H 2.373374 2.986466 -0.347332
H 1.368312 3.170349 1.111233
H 3.013612 -2.663634 -0.947584
H 3.223645 -2.533302 0.810276
H 1.848607 -3.471976 0.134926
H 4.200280 -0.476134 -1.519085
H 4.105143 1.287669 -1.186048
H 6.523869 0.514164 -1.214197
H 6.058288 1.083582 0.421639
H 6.156413 -0.669071 0.083530
H -2.084589 -1.747404 -1.709026
H -4.401020 -1.991743 -1.595088
H -4.095646 1.269994 -0.124233
H -5.508452 0.975347 -1.220456
H -6.236959 2.239119 0.875674
H -6.990754 0.614432 0.820619
H -5.583948 0.916000 1.889801


