%chk=000004550.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004550

0 1
 O   -1.783700       3.498100     -0.4540000    
 O   -3.301600       2.049700      0.6566000    
 O    4.026100      -1.381200      0.1042000    
 O    4.419200       1.183400     -0.3974000    
 N    1.724600      -1.745300      3.6400001E-02
 N   -2.082500       2.264600      6.5600000E-02
 N    3.336400       1.437600      0.1455000    
 C  -0.7200000      -1.196400     -2.3000000E-02
 C   -1.592700     -0.1595000     -4.4199999E-02
 C   -1.119600      -2.646100     -4.1200001E-02
 C   -3.084000     -0.4263000     -0.1524000    
 C   -2.601400      -2.862400      0.2554000    
 C   -3.449200      -1.867300     -0.5202000    
 C   0.7352000     -0.9097000      2.7100001E-02
 C   -1.150000       1.258300      2.7500000E-02
 C    1.136100      0.4955000      6.4599998E-02
 C   0.1691000       1.542700      6.9399998E-02
 C    2.465300      0.4451000      9.8800004E-02
 C    2.872600     -0.9808000      8.1100002E-02
 H  -0.8821000      -3.060500      -1.029000    
 H  -0.5358000      -3.211800      0.6947000    
 H   -3.551000     -0.2288000      0.8202000    
 H   -3.544200      0.2168000     -0.9120000    
 H   -2.885400      -3.887600     -7.1999999E-03
 H   -2.786500      -2.744600       1.330700    
 H   -4.512700      -2.041000     -0.3203000    
 H   -3.299600      -2.020800      -1.596700    
 H   0.5310000       2.564500      0.1292000    
 H   -2.632900       3.756800     -0.8500000    
 H   -3.332700       2.766100       1.312900    


%chk=000004550-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004550

0 1
O -1.780633 3.568595 -0.431718
O -3.197542 2.293252 1.006948
O 3.914170 -2.522095 0.202428
O 4.632644 2.068148 0.014860
N 1.619215 -1.720530 0.085832
N -2.421044 2.236687 -0.269582
N 3.477459 1.565623 0.000073
C -0.720300 -1.113059 -0.016393
C -1.731827 -0.120557 -0.104017
C -1.054299 -2.599509 0.009306
C -3.204476 -0.495720 -0.188379
C -2.545995 -2.891391 0.274473
C -3.432701 -1.967855 -0.585640
C 0.649517 -0.723290 0.019132
C -1.339220 1.253563 -0.125622
C 1.028368 0.658887 -0.027971
C 0.009414 1.645847 -0.099529
C 2.402386 1.035702 -0.005422
C 2.796688 -2.045755 0.142056
H -0.758782 -3.039288 -0.965773
H -0.418066 -3.101040 0.762380
H -3.678931 -0.295155 0.792398
H -3.706745 0.196515 -0.889463
H -2.756212 -3.955305 0.059515
H -2.779480 -2.724423 1.345012
H -4.501280 -2.221051 -0.457377
H -3.189216 -2.116733 -1.656644
H 0.270783 2.703349 -0.154129
H -2.483464 4.082267 -0.910280
H -2.532431 2.453424 1.745826


