%chk=000094229.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094229

0 1
 O    1.148400       1.758000      0.3426000    
 O   0.6743000       1.996700      -1.894900    
 O    2.792900      -2.522500     -0.6448000    
 N    1.489400     -0.8058000      0.2355000    
 C    1.066200     -0.2178000      -1.010700    
 C  -0.2179000     -0.8792000      -1.532700    
 C   -1.430100     -0.6905000     -0.6488000    
 C   0.9322000       1.296700     -0.9210000    
 C   -1.694600      -1.618300      0.3446000    
 C   -2.251100      0.4061000     -0.8508000    
 C    2.320400      -1.912900      0.3110000    
 C   -2.813200      -1.444400       1.159800    
 C   -3.369500      0.5801000     -3.5700001E-02
 C   -3.650600     -0.3453000      0.9696000    
 C    1.059700       3.176600      0.5097000    
 C    2.625400      -2.304400       1.732000    
 C    1.318300       3.526900       1.934800    
 H    1.868500     -0.4002000      -1.737400    
 H  -0.4495000     -0.4887000      -2.533000    
 H  -4.8099998E-02  -1.954900      -1.677100    
 H    1.152400     -0.3862000       1.097500    
 H   -1.050300      -2.478600      0.5003000    
 H   -2.046400       1.130500      -1.633500    
 H   -3.032200      -2.165000       1.942300    
 H   -4.022300       1.435300     -0.1844000    
 H    1.800600       3.663300     -0.1348000    
 H   5.7599999E-02   3.511900      0.2189000    
 H   -4.521600     -0.2100000       1.604100    
 H    3.131300      -3.273800       1.747000    
 H    3.275500      -1.551900       2.186600    
 H    1.699400      -2.383200       2.308700    
 H    1.257100       4.607200       2.094800    
 H   0.5954000       3.035300       2.594600    
 H    2.310400       3.183800       2.247200    


%chk=000094229-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094229

0 1
O 1.134428 1.801798 0.325972
O 0.752758 2.015518 -1.962223
O 2.450050 -2.703498 -0.694580
N 1.597264 -0.771808 0.264035
C 1.179325 -0.217651 -1.026912
C -0.137688 -0.872769 -1.589346
C -1.345825 -0.687072 -0.688089
C 1.011476 1.300043 -0.969067
C -1.630595 -1.622942 0.340517
C -2.203588 0.434980 -0.840250
C 2.223283 -2.002007 0.341933
C -2.736222 -1.439520 1.201761
C -3.310574 0.620733 0.018574
C -3.579246 -0.314741 1.045187
C 0.912145 3.274936 0.489735
C 2.626155 -2.454995 1.741747
C 1.081568 3.587770 1.971897
H 1.970436 -0.443858 -1.768747
H -0.314842 -0.425932 -2.584101
H 0.095833 -1.942557 -1.730387
H 1.420702 -0.208075 1.097141
H -0.989199 -2.505250 0.453623
H -2.005088 1.156816 -1.642266
H -2.946191 -2.176196 1.985794
H -3.967934 1.487078 -0.118892
H 1.644924 3.802572 -0.146254
H -0.102089 3.505377 0.117948
H -4.441518 -0.175053 1.707002
H 2.166454 -3.436215 1.951110
H 3.720556 -2.595579 1.773099
H 2.333405 -1.745454 2.534670
H 0.924674 4.668333 2.142603
H 0.346967 3.032234 2.579537
H 2.096196 3.327786 2.319228


