%chk=000138523.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138523

0 1
 O   -1.611900      -1.024400       1.739400    
 N   -2.080700     -0.3278000     -0.4235000    
 C    3.055000       1.378900     -0.1539000    
 C    1.810300       1.837100      0.6091000    
 C    3.008300      1.7000000E-03 -0.8302000    
 C   0.5340000       1.831300     -0.2343000    
 C    2.938600      -1.206700      0.1130000    
 C  -0.6751000       2.315800      0.5701000    
 C    1.546200      -1.611400      0.6077000    
 C   -1.992500       2.192600     -0.2058000    
 C   0.6126000      -2.108800     -0.5032000    
 C   -2.758900      0.8863000      4.6200000E-02
 C  -0.7882000      -2.434100      1.9800000E-02
 C   -1.535100      -1.205000      0.5187000    
 C   -2.062500     -0.5255000      -1.873100    
 H    3.911200       1.408400      0.5316000    
 H    3.268100       2.123700     -0.9320000    
 H    1.679000       1.225900       1.507500    
 H    1.990600       2.858100      0.9696000    
 H    3.947600     -9.2699997E-02  -1.392600    
 H    2.220100     -2.9800000E-02  -1.587200    
 H   0.6712000       2.476500      -1.110500    
 H   0.3432000      0.8269000     -0.6098000    
 H    3.584100      -1.024100      0.9808000    
 H    3.370500      -2.070000     -0.4097000    
 H  -0.7443000       1.781400       1.524600    
 H  -0.5151000       3.373500      0.8150000    
 H    1.086000     -0.7852000       1.151000    
 H    1.669500      -2.419600       1.340300    
 H   -2.647700       3.011000      0.1198000    
 H   -1.823500       2.344500      -1.277800    
 H    1.041100      -3.016700     -0.9449000    
 H   0.5457000      -1.372200      -1.306800    
 H   -2.975600      0.8031000       1.117100    
 H   -3.731200      0.9333000     -0.4591000    
 H  -0.7128000      -3.142500      0.8548000    
 H   -1.383100      -2.946900     -0.7418000    
 H   -1.652000      -1.488700      -2.171100    
 H   -1.460600      0.2638000      -2.330900    
 H   -3.088400     -0.4616000      -2.248300    


%chk=000138523-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000138523

0 1
O -1.631237 -0.996975 1.752535
N -2.077386 -0.322655 -0.430399
C 3.091109 1.396332 -0.186520
C 1.832597 1.849759 0.598101
C 3.052263 -0.012223 -0.841832
C 0.527003 1.854656 -0.229215
C 2.962868 -1.222070 0.132405
C -0.692102 2.366539 0.576516
C 1.544644 -1.620863 0.620976
C -2.049368 2.231687 -0.165481
C 0.633193 -2.179093 -0.496884
C -2.784535 0.884971 0.063824
C -0.817565 -2.471549 -0.011820
C -1.545616 -1.220330 0.499183
C -2.046989 -0.492899 -1.889512
H 3.966575 1.439296 0.494543
H 3.287248 2.139561 -0.988174
H 1.691223 1.212596 1.493187
H 2.014807 2.874931 0.983827
H 3.984514 -0.117559 -1.433354
H 2.228411 -0.059062 -1.581359
H 0.665151 2.487163 -1.132012
H 0.315041 0.832050 -0.590717
H 3.600083 -1.009507 1.015651
H 3.414303 -2.107668 -0.362612
H -0.751269 1.814526 1.535747
H -0.518500 3.430722 0.836230
H 1.047456 -0.763897 1.107360
H 1.643463 -2.394990 1.409061
H -2.745524 3.019366 0.187404
H -1.905706 2.417787 -1.250297
H 1.068423 -3.121862 -0.886559
H 0.606029 -1.473617 -1.350399
H -2.939749 0.732671 1.145354
H -3.776939 0.922944 -0.432148
H -0.776358 -3.157914 0.851683
H -1.387355 -2.982257 -0.811283
H -1.624897 -1.467410 -2.169933
H -1.437642 0.295761 -2.372867
H -3.073968 -0.428818 -2.300609


