%chk=000102712.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102712

0 1
 O   -4.339600      0.1398000      0.4352000    
 N   0.4800000     -0.2592000      0.2104000    
 C   0.7428000       1.182700      0.3141000    
 C    1.665700     -0.8771000     -0.4001000    
 C    2.192800       1.179900      0.7855000    
 C    2.833800      8.7000001E-03  5.1500000E-02
 C  -0.7681000     -0.6050000     -0.4526000    
 C   0.5734000       1.993200     -0.9754000    
 C    1.850000      -2.323300      4.6999998E-02
 C   -1.953700     -3.7599999E-02  0.3216000    
 C   -3.277200     -0.4023000     -0.3372000    
 H   0.1269000       1.638800       1.097700    
 H    1.607200     -0.8451000      -1.496200    
 H    2.233900      0.9922000       1.866500    
 H    2.717800       2.121100      0.5935000    
 H    3.383200      0.3736000     -0.8245000    
 H    3.548600     -0.5071000      0.7017000    
 H  -0.7888000     -0.2656000      -1.495200    
 H  -0.8800000      -1.695400     -0.4808000    
 H    1.156300       1.579900      -1.805200    
 H  -0.4739000       2.041900      -1.288600    
 H   0.9109000       3.024100     -0.8200000    
 H    2.785600      -2.730400     -0.3514000    
 H    1.888700      -2.403400       1.139300    
 H    1.035100      -2.961000     -0.3095000    
 H   -1.950600     -0.4098000       1.354600    
 H   -1.908800       1.054600      0.3977000    
 H   -3.408700      -1.487700     -0.3810000    
 H   -3.344400     -3.0000000E-03  -1.354200    
 H   -4.237500       1.106800      0.4380000    


%chk=000102712-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102712

0 1
O -4.516345 -0.016025 0.457096
N 0.489726 -0.191640 0.146469
C 0.817519 1.257056 0.304335
C 1.687239 -0.888583 -0.423776
C 2.272201 1.175967 0.826125
C 2.895618 -0.002263 0.021777
C -0.796728 -0.539285 -0.483619
C 0.704091 2.112803 -0.989707
C 1.788163 -2.346530 0.066979
C -2.012591 -0.010816 0.308286
C -3.343175 -0.507208 -0.285161
H 0.151720 1.694934 1.072904
H 1.636722 -0.901028 -1.542441
H 2.258900 0.937538 1.904107
H 2.820079 2.124952 0.688838
H 3.448735 0.368229 -0.859747
H 3.607713 -0.580282 0.636441
H -0.861926 -0.184140 -1.546130
H -0.862317 -1.644042 -0.523521
H 1.397584 1.756360 -1.773730
H -0.320021 2.092658 -1.406574
H 0.952486 3.167175 -0.767602
H 2.680224 -2.839265 -0.363435
H 1.866139 -2.367701 1.168686
H 0.903816 -2.942907 -0.225032
H -1.930637 -0.341969 1.359794
H -2.008635 1.099576 0.312503
H -3.417903 -1.605609 -0.209282
H -3.414519 -0.228078 -1.360077
H -4.492477 0.974425 0.467891


