%chk=000028113.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028113

0 1
 O  -0.6567000      0.4405000     -0.1633000    
 O    1.924500     -0.6954000      -2.376300    
 O  -0.6567000     -0.1132000      -2.398900    
 N   -4.744400      0.2705000      0.7208000    
 C   -2.035200      0.7783000     -0.2497000    
 C   -2.514400       1.262200       1.115100    
 C   -2.843800     -0.4378000     -0.6927000    
 C   -4.026000       1.487400       1.126000    
 C   -4.345100     -0.1602000     -0.6268000    
 C   -6.190000      0.4857000      0.7818000    
 C  -8.0300003E-02  2.9000000E-03  -1.323600    
 C    1.392800     -0.3333000      -1.098600    
 C    1.518800      -1.535100     -0.1640000    
 C    2.126700      0.8642000     -0.6403000    
 C    2.274400      -1.406800      0.9801000    
 C   0.8724000      -2.703900     -0.4992000    
 C    3.446800       3.037100      0.1903000    
 C    2.720400       1.841400     -0.2710000    
 C    2.389600      -2.504200       1.833300    
 C   0.9875000      -3.801400      0.3540000    
 C    1.746000      -3.701500       1.520400    
 C    2.476800       4.195100      0.4099000    
 C    4.215900       2.727300       1.472400    
 H   -2.155100       1.595500     -0.9735000    
 H   -1.992700       2.188900       1.383700    
 H   -2.237000      0.5317000       1.887000    
 H   -2.594500      -1.296800     -5.4400001E-02
 H   -2.629700     -0.7614000      -1.712800    
 H   -4.321700       1.771600       2.143300    
 H   -4.277800       2.328200      0.4662000    
 H   -4.613900      0.5967000      -1.375500    
 H   -4.875800      -1.083100     -0.8910000    
 H   -6.520400       1.276500      9.8499998E-02
 H   -6.495900      0.7578000       1.798200    
 H   -6.727100     -0.4353000      0.5293000    
 H    2.794500     -0.5030000       1.273100    
 H   0.2729000      -2.799800      -1.398900    
 H    1.505600      -1.516300      -2.682900    
 H    4.167500       3.331700     -0.5822000    
 H    2.979900      -2.427200       2.741900    
 H   0.4853000      -4.733300      0.1112000    
 H    1.835200      -4.555900       2.185000    
 H    3.011300       5.095600      0.7308000    
 H    1.729300       3.953700       1.174400    
 H    1.938200       4.435500     -0.5138000    
 H    3.541800       2.424100       2.281900    
 H    4.779000       3.603700       1.810300    
 H    4.929100       1.910400       1.313600    


%chk=000028113-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028113

0 1
O -0.677915 0.249262 -0.257473
O 2.060948 -0.750957 -2.479424
O -0.490796 0.043987 -2.573817
N -4.774732 0.472661 0.868854
C -2.144506 0.591423 -0.366800
C -2.483448 1.453417 0.851548
C -2.970345 -0.703467 -0.387074
C -4.002013 1.736722 0.868006
C -4.473564 -0.353231 -0.324602
C -6.222414 0.700593 1.042471
C -0.002633 -0.010722 -1.415872
C 1.508218 -0.373452 -1.172906
C 1.601860 -1.596443 -0.235700
C 2.184482 0.828639 -0.640430
C 1.744286 -1.442408 1.162664
C 1.494302 -2.893254 -0.791163
C 3.469545 3.046123 0.247330
C 2.767887 1.839348 -0.239584
C 1.776584 -2.578772 2.000927
C 1.526766 -4.028476 0.048632
C 1.665520 -3.875666 1.447639
C 2.465976 4.194356 0.548323
C 4.344635 2.720170 1.489749
H -2.283971 1.151024 -1.312325
H -1.918449 2.402866 0.821556
H -2.202453 0.909661 1.771172
H -2.700605 -1.316304 0.491763
H -2.756514 -1.283400 -1.302786
H -4.260081 2.307474 1.778797
H -4.270222 2.380773 -0.012968
H -4.773897 0.170649 -1.271870
H -5.065473 -1.284926 -0.266665
H -6.684191 1.284233 0.205548
H -6.402195 1.251999 1.982707
H -6.745721 -0.269774 1.110647
H 1.833504 -0.437614 1.588489
H 1.419522 -3.000104 -1.877159
H 1.453312 -0.365556 -3.172475
H 4.145001 3.386635 -0.565098
H 1.890972 -2.452975 3.083613
H 1.451725 -5.030420 -0.389002
H 1.693182 -4.756783 2.098872
H 3.011882 5.102065 0.864322
H 1.777022 3.902493 1.361339
H 1.863297 4.441252 -0.343035
H 3.712544 2.386420 2.332343
H 4.901129 3.620487 1.808344
H 5.070037 1.919270 1.265671


