%chk=000088371.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088371

0 1
 O   -1.271800      -2.660300     -0.8381000    
 O   0.2778000      -2.198300      0.7592000    
 N    2.921400      0.4799000     -0.1581000    
 N   0.8832000      0.5065000      0.6740000    
 N    1.571700      0.5902000     -0.3655000    
 C  -0.4755000      0.6292000      0.3562000    
 C   -1.243800     -0.4938000      4.9600001E-02
 C   -1.058600       1.896200      0.3490000    
 C   -2.595300     -0.3498000     -0.2643000    
 C   -2.410100       2.040400      3.5300002E-02
 C   -3.178400      0.9173000     -0.2714000    
 C  -0.6612000      -1.829300      4.8999999E-02
 C    3.481900     -0.3066000      0.9272000    
 C    3.758700      0.7784000      -1.302200    
 H  -0.4694000       2.778000      0.5876000    
 H   -3.224200      -1.205700     -0.4947000    
 H   -2.864400       3.026800      3.0800000E-02
 H   -4.231400       1.029600     -0.5126000    
 H    4.505700      2.6799999E-02   1.121200    
 H    3.488400      -1.359000      0.6308000    
 H    2.903500     -0.1810000       1.845800    
 H    3.261100       1.507500      -1.948600    
 H    3.942300     -0.1447000      -1.858800    
 H    4.705900       1.201100     -0.9563000    
 H  -0.8742000      -3.557100     -0.8317000    


%chk=000088371-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088371

0 1
O -1.163865 -2.325732 -1.653632
O 0.463532 -2.204738 -0.012186
N 2.950810 0.247017 -0.208728
N 0.927648 0.802345 0.559706
N 1.623882 0.322751 -0.455007
C -0.475729 0.728002 0.359516
C -1.164974 -0.362259 -0.273816
C -1.231717 1.823359 0.858317
C -2.571359 -0.268709 -0.464680
C -2.625405 1.886015 0.678773
C -3.300668 0.843523 -0.003519
C -0.501268 -1.655833 -0.598384
C 3.523396 0.576324 1.107233
C 3.787722 -0.214778 -1.318772
H -0.687820 2.628439 1.362724
H -3.082658 -1.097751 -0.961873
H -3.184824 2.747351 1.060484
H -4.384024 0.889504 -0.154812
H 4.596121 0.327279 1.097090
H 3.003308 0.001897 1.894497
H 3.386096 1.649089 1.337751
H 3.126168 -0.425368 -2.172223
H 4.328442 -1.139581 -1.043982
H 4.526411 0.555901 -1.610447
H -0.725923 -3.211748 -1.770630


