%chk=000004058.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004058

0 1
 O   -1.923400      -1.257900      0.3732000    
 O   -1.089700      -2.061500      -1.625700    
 N    3.158100     -0.9256000      0.2214000    
 C   0.2344000     -0.5659000     -0.2567000    
 C    1.286800     -0.7726000      -1.378700    
 C   0.8300000      -1.202700       1.027800    
 C    2.672500     -0.2512000     -0.9873000    
 C    2.247000     -0.7106000       1.351000    
 C  -0.2153000      0.8976000     -0.1372000    
 C  -0.9863000      -1.389600     -0.6084000    
 C    4.508100     -0.4735000      0.5560000    
 C  -0.7881000       1.537800      -1.233100    
 C  -4.7899999E-02   1.577500       1.066300    
 C   -1.196200       2.867200      -1.124800    
 C  -0.4561000       2.906800       1.174700    
 C   -1.030300       3.551700      7.9099998E-02
 C   -3.136800      -1.988300      0.1671000    
 C   -4.066700      -1.739300       1.335300    
 H   0.9787000     -0.2955000      -2.317000    
 H    1.386800      -1.843000      -1.611800    
 H   0.8764000      -2.294800      0.8976000    
 H   0.1809000      -1.053800       1.900100    
 H    3.357000     -0.4538000      -1.820300    
 H    2.643500      0.8375000     -0.8511000    
 H    2.262200      0.3407000       1.651700    
 H    2.605500      -1.284100       2.215400    
 H    5.199700     -0.6859000     -0.2668000    
 H    4.888400      -1.011400       1.431500    
 H    4.544800      0.6012000      0.7683000    
 H  -0.9344000       1.022300      -2.178100    
 H   0.3466000       1.122000       1.964800    
 H   -1.645500       3.368700      -1.977000    
 H  -0.3372000       3.437500       2.114900    
 H   -1.350900       4.585800      0.1644000    
 H   -3.611000      -1.652700     -0.7619000    
 H   -2.911000      -3.057900      9.4800003E-02
 H   -5.006800      -2.283700       1.210000    
 H   -3.598300      -2.053000       2.274000    
 H   -4.286400     -0.6708000       1.431500    


%chk=000004058-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004058

0 1
O -1.920191 -1.453477 0.481773
O -1.464920 -1.558915 -1.794902
N 3.132370 -0.917021 0.248029
C 0.212203 -0.540591 -0.256200
C 1.254767 -0.827022 -1.381039
C 0.785095 -1.141922 1.061607
C 2.650148 -0.295352 -1.009498
C 2.208059 -0.631568 1.371178
C -0.151623 0.970301 -0.162295
C -1.112722 -1.241037 -0.634620
C 4.521304 -0.533594 0.562744
C -0.464238 1.689503 -1.347443
C -0.252196 1.654904 1.075589
C -0.841912 3.048661 -1.299452
C -0.627651 3.016125 1.127775
C -0.920742 3.723115 -0.059642
C -3.267757 -2.046879 0.217563
C -3.964647 -2.170075 1.568540
H 0.928198 -0.399144 -2.342996
H 1.319154 -1.921246 -1.524299
H 0.839227 -2.239619 0.938285
H 0.111935 -0.951231 1.913959
H 3.362902 -0.548925 -1.816683
H 2.621020 0.822938 -0.930648
H 2.185871 0.464066 1.604844
H 2.587560 -1.148759 2.273145
H 5.185131 -0.820807 -0.272597
H 4.860153 -1.069022 1.468173
H 4.648901 0.564957 0.742946
H -0.433279 1.181487 -2.317456
H -0.046226 1.130116 2.012869
H -1.080140 3.577997 -2.229091
H -0.693139 3.522398 2.097717
H -1.212406 4.778585 -0.019718
H -3.806630 -1.380500 -0.480226
H -3.125029 -3.023295 -0.279853
H -4.972730 -2.602571 1.432050
H -3.394455 -2.826037 2.248547
H -4.072267 -1.181344 2.046327


