%chk=000096390.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096390

0 1
 O   -3.080700       1.932600     -0.6967000    
 N    3.563000     -0.1554000      0.2223000    
 N   -1.092400       2.149800      0.5189000    
 C   0.7341000      0.6921000     -0.2200000    
 C    1.794300      0.5666000      -1.353700    
 C    1.542400      0.9723000       1.080800    
 C  -0.1520000       1.919000     -0.5331000    
 C    2.889900     -0.4580000      -1.039000    
 C    2.619000     -8.5600004E-02   1.335500    
 C  -0.2099000     -0.5206000     -7.4000001E-02
 C  -0.5297000      -1.283900      -1.192000    
 C  -0.7330000     -0.8412000       1.174400    
 C   -1.382500      -2.379800      -1.060300    
 C   -1.585700      -1.937200       1.306000    
 C   -1.910400      -2.706500      0.1887000    
 C   -2.466300       2.135800      0.3425000    
 H    2.284200       1.542600      -1.489000    
 H    1.345500      0.3449000      -2.327100    
 H   0.9290000       1.085700       1.978500    
 H    2.049400       1.943700      0.9765000    
 H  -0.6819000       1.788400      -1.484500    
 H   0.4537000       2.828600     -0.6211000    
 H    2.475800      -1.472400      -1.011500    
 H    3.632900     -0.4413000      -1.843900    
 H    3.173200      0.1866000       2.240700    
 H    2.175500      -1.070000       1.521700    
 H    4.261600     -0.8726000      0.4142000    
 H  -0.1605000      -1.054300      -2.184500    
 H  -0.5341000     -0.2703000       2.072500    
 H  -0.7395000       2.403000       1.437000    
 H   -1.640100      -2.976100      -1.930900    
 H   -2.001500      -2.189300       2.277300    
 H   -2.576200      -3.558400      0.2908000    
 H   -2.980600       2.349700       1.293900    


%chk=000096390-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096390

0 1
O -2.954690 2.077333 -1.140235
N 3.610346 -0.067806 0.271528
N -1.189537 2.230055 0.398029
C 0.759978 0.675119 -0.152465
C 1.800088 0.481584 -1.306289
C 1.567978 1.015433 1.139525
C -0.112229 1.916974 -0.550510
C 2.905555 -0.530544 -0.946834
C 2.708010 0.014881 1.441909
C -0.166086 -0.558052 -0.007627
C -0.848991 -1.058656 -1.149958
C -0.426791 -1.190568 1.235726
C -1.738903 -2.148829 -1.059894
C -1.318194 -2.284134 1.334227
C -1.976583 -2.773877 0.185823
C -2.521742 2.266537 0.030599
H 2.284264 1.457289 -1.509053
H 1.294324 0.162715 -2.235968
H 0.905142 1.092596 2.024238
H 2.035467 2.008784 0.991357
H -0.604967 1.747305 -1.523764
H 0.559342 2.793041 -0.659355
H 2.448805 -1.543752 -0.823452
H 3.634563 -0.589929 -1.775847
H 3.288084 0.375361 2.312023
H 2.275033 -0.977708 1.714405
H 4.455012 -0.619507 0.469568
H -0.705417 -0.582576 -2.126650
H 0.062001 -0.837609 2.149114
H -0.952430 2.399130 1.377251
H -2.255391 -2.502118 -1.959377
H -1.496816 -2.750802 2.310004
H -2.668405 -3.620299 0.259462
H -3.190318 2.491126 0.893392


