%chk=000067295.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067295

0 1
 O   -2.657800      0.5947000      0.6627000    
 O    2.824000      0.8841000      0.1456000    
 N   -1.546000       2.340900      -1.241800    
 C   -4.661000     -0.4716000     -0.1134000    
 C    4.832300     -0.3089000     -0.3803000    
 C   -3.256700     -0.6793000      0.4356000    
 C   -5.369400      -1.799500     -0.3657000    
 C    3.555500     -0.2958000      0.4483000    
 C    5.662700      -1.561600     -0.1161000    
 C   -1.304400      0.6762000      0.5226000    
 C    1.460500      0.8153000      0.2697000    
 C  -0.7322000       1.536400     -0.4145000    
 C   0.6551000       1.606200     -0.5415000    
 C   -6.786700      -1.587200     -0.8730000    
 C  -0.4892000     -0.1141000       1.333000    
 C    6.915300      -1.591600     -0.9772000    
 C   0.8980000     -4.4199999E-02   1.206000    
 H   -4.607000      0.1126000      -1.040600    
 H   -5.238400      0.1392000      0.5921000    
 H    4.573400     -0.2432000      -1.444700    
 H    5.420200      0.5908000     -0.1592000    
 H   -2.666400      -1.267100     -0.2793000    
 H   -3.297600      -1.222100       1.386800    
 H   -4.807400      -2.387900      -1.100200    
 H   -5.404800      -2.385000      0.5605000    
 H    3.801400     -0.3024000       1.516500    
 H    2.986100      -1.200900      0.1991000    
 H    5.950000      -1.601700      0.9410000    
 H    5.065100      -2.456800     -0.3242000    
 H    1.109900       2.273500      -1.269500    
 H   -7.385200      -1.030900     -0.1445000    
 H   -6.786600      -1.029900      -1.815200    
 H   -7.274900      -2.550900      -1.048500    
 H  -0.9202000     -0.7777000       2.077800    
 H    6.660000      -1.587600      -2.041700    
 H    7.552300     -0.7250000     -0.7731000    
 H    7.495800      -2.496100     -0.7706000    
 H    1.496900     -0.6530000       1.876400    
 H   -1.124400       2.962500      -1.918900    
 H   -2.552600       2.292400      -1.156000    


%chk=000067295-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000067295

0 1
O -2.741416 0.404296 -0.419754
O 2.892523 0.492160 -0.477778
N -1.416932 2.566760 -1.248554
C -4.999060 -0.419802 -0.132695
C 5.175558 -0.252263 -0.213597
C -3.515345 -0.766046 0.014207
C -5.914452 -1.591617 0.292984
C 3.707844 -0.650989 -0.041896
C 6.140702 -1.385510 0.205518
C -1.328234 0.299887 -0.383059
C 1.489874 0.351328 -0.414403
C -0.650525 1.480707 -0.836665
C 0.762267 1.487126 -0.845066
C -7.412981 -1.254885 0.136931
C -0.599135 -0.820266 0.043236
C 7.623152 -0.994464 0.024588
C 0.821076 -0.810271 0.033546
H -5.202191 -0.148302 -1.186758
H -5.223222 0.474441 0.480624
H 5.350736 0.020401 -1.272182
H 5.374320 0.655056 0.388829
H -3.248391 -1.641775 -0.615612
H -3.266089 -1.005740 1.070265
H -5.672559 -2.488341 -0.313472
H -5.703809 -1.861006 1.348069
H 3.482963 -0.889260 1.020068
H 3.465955 -1.542881 -0.659315
H 5.956609 -1.655392 1.265670
H 5.923919 -2.295461 -0.391019
H 1.317207 2.367690 -1.185005
H -7.689308 -0.380561 0.755651
H -7.656334 -1.012079 -0.914479
H -8.051100 -2.103012 0.445131
H -1.117697 -1.719929 0.388958
H 7.841733 -0.751926 -1.032313
H 7.874812 -0.104412 0.631312
H 8.297630 -1.815008 0.330593
H 1.367168 -1.694636 0.370333
H -0.982094 3.420521 -1.581361
H -2.429572 2.488261 -1.217530


