%chk=000037824.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037824

0 1
 S    3.071100       1.091800      -1.108300    
 N   -1.418100      3.7300002E-02  0.5681000    
 N   -3.919000     -0.8010000     -0.6155000    
 N    3.743800      -1.417600     -0.5686000    
 N    2.305700      -2.765900      0.8321000    
 C  -0.4129000       1.041000      0.9125000    
 C  -0.9567000       2.422200      0.4789000    
 C   0.9098000      0.7151000      0.2544000    
 C   -2.704300      0.3481000       1.203800    
 C   -1.576700     -6.3600004E-02 -0.8879000    
 C   0.1469000       3.483200      0.4174000    
 C    1.202500       3.103900     -0.6281000    
 C    1.622900       1.679400     -0.4414000    
 C   -3.760700     -0.7011000      0.8405000    
 C   -2.632800      -1.113600      -1.250200    
 C    1.650100     -0.5246000      0.3207000    
 C    2.832300     -0.4388000     -0.4073000    
 C   -4.925300      -1.803200     -0.9607000    
 C    1.423000      -1.751800      0.9588000    
 C    3.398500      -2.540900      8.0799997E-02
 H  -0.2416000       1.044700       1.997500    
 H   -1.685900       2.781400       1.216200    
 H   -1.454500       2.459000     -0.4913000    
 H   -3.116300       1.317400      0.9013000    
 H   -2.588500      0.3610000       2.294300    
 H  -0.6516000     -0.3861000      -1.377600    
 H   -1.889600      0.8610000      -1.379300    
 H   0.6163000       3.578900       1.405000    
 H  -0.2816000       4.461100      0.1697000    
 H    2.058100       3.783300     -0.5406000    
 H   0.7835000       3.224400      -1.634600    
 H   -3.479000      -1.671700       1.271300    
 H   -4.713200     -0.4065000       1.298000    
 H   -2.750900      -1.125700      -2.340700    
 H   -2.280000      -2.110000     -0.9504000    
 H   -5.894400      -1.541600     -0.5216000    
 H   -4.648900      -2.805500     -0.6140000    
 H   -5.072400      -1.842100      -2.045800    
 H   0.5499000      -1.952900       1.568000    
 H    4.089400      -3.371700     -8.9999996E-03


%chk=000037824-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037824

0 1
S 3.385604 1.138241 -0.840949
N -1.488977 0.243688 0.386922
N -3.876141 -1.108117 -0.500797
N 3.556531 -1.621464 -0.423604
N 1.694495 -2.846322 0.577803
C -0.469649 1.273481 0.739516
C -0.839103 2.731497 0.318477
C 0.907752 0.892674 0.199453
C -2.750118 0.349325 1.156625
C -1.762954 0.063817 -1.058955
C 0.344316 3.705370 0.511038
C 1.530574 3.318203 -0.409126
C 1.784255 1.836160 -0.308162
C -3.598242 -0.917301 0.941783
C -2.612039 -1.202725 -1.268941
C 1.477785 -0.444999 0.209717
C 2.808862 -0.502120 -0.322748
C -4.777397 -2.248145 -0.756354
C 0.964655 -1.694365 0.657436
C 2.951371 -2.756094 0.039402
H -0.406996 1.250389 1.850296
H -1.712566 3.070291 0.905518
H -1.140315 2.738850 -0.747430
H -3.361460 1.233247 0.851300
H -2.505709 0.453093 2.231255
H -0.803201 -0.038448 -1.596902
H -2.317445 0.929555 -1.494601
H 0.678628 3.682681 1.567206
H 0.028528 4.742454 0.292023
H 2.437637 3.887317 -0.130082
H 1.299221 3.592562 -1.459118
H -3.051242 -1.794784 1.375097
H -4.560675 -0.814193 1.477765
H -2.858017 -1.307561 -2.342278
H -2.009488 -2.096806 -0.963686
H -5.727838 -2.100796 -0.212451
H -4.346965 -3.232568 -0.441821
H -5.007045 -2.305478 -1.835614
H -0.047219 -1.760419 1.066369
H 3.529486 -3.681892 -0.024984


