%chk=000088503.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088503

0 1
 O   0.2799000     -0.9236000     -0.1773000    
 N    1.745100     -0.7445000       2.218600    
 C   -2.522700      -1.475600     -9.7099997E-02
 C   -1.948400     -4.9899999E-02 -5.3300001E-02
 C   -4.064500      -1.416600     -3.6400001E-02
 C   -1.997700      -2.284600       1.108800    
 C   -2.146100      -2.262400      -1.373000    
 C  -0.5875000      0.1243000     -9.5899999E-02
 C   -2.838400      0.9936000      2.7899999E-02
 C  -8.3200000E-02   1.424100     -5.4600000E-02
 C  -0.9565000       2.508600      2.8000001E-02
 C   -2.334100       2.293300      6.9200002E-02
 C  -0.4179000       3.898700      7.3200002E-02
 C    1.633000     -0.6355000     -0.2141000    
 C    2.357500     -0.5467000      0.9618000    
 C    2.230300     -0.4417000      -1.448400    
 C    3.720200     -0.2550000      0.9026000    
 C    3.593000     -0.1501000      -1.507700    
 C    4.338000     -5.6699999E-02 -0.3323000    
 H   -4.478700      -2.433700     -5.6100000E-02
 H   -4.434800     -0.9716000      0.8952000    
 H   -4.503900     -0.9025000     -0.8998000    
 H   -2.156900      -1.741200       2.048000    
 H   -2.530200      -3.239900       1.193200    
 H  -0.9349000      -2.532700       1.045900    
 H   -2.650900      -3.235400      -1.400800    
 H   -2.442700      -1.708000      -2.271100    
 H   -1.073800      -2.461100      -1.455200    
 H   -3.916300      0.9164000      6.2799998E-02
 H   0.9745000       1.664200     -8.4399998E-02
 H   -3.025200       3.129900      0.1320000    
 H   0.4013000       3.970900      0.7964000    
 H  -4.7699999E-02   4.191000     -0.9147000    
 H   -1.183300       4.620300      0.3783000    
 H    1.654300     -0.5155000      -2.366300    
 H    4.312300     -0.1791000       1.811100    
 H    4.074000      4.0000002E-03  -2.469200    
 H    5.399000      0.1704000     -0.3785000    
 H    2.293000     -0.6768000       3.065900    
 H   0.7600000     -0.9669000       2.270400    


%chk=000088503-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088503

0 1
O 0.286728 -0.612912 0.502214
N 2.201099 -1.324017 2.283859
C -2.484548 -1.440169 -0.002263
C -2.015999 0.036404 -0.003370
C -4.007425 -1.561438 -0.277477
C -2.203484 -2.091016 1.386889
C -1.737300 -2.234123 -1.117643
C -0.655402 0.417228 0.200374
C -2.918629 1.110060 -0.215547
C -0.233252 1.763014 0.192615
C -1.155670 2.813112 -0.028847
C -2.510812 2.463012 -0.232661
C -0.694754 4.260545 -0.036686
C 1.639821 -0.510445 0.060611
C 2.613732 -0.939000 1.012256
C 1.997834 -0.123430 -1.242505
C 3.976670 -0.950400 0.603665
C 3.358831 -0.135021 -1.629650
C 4.341190 -0.550030 -0.699740
H -4.290591 -2.629947 -0.274732
H -4.610599 -1.054950 0.498862
H -4.283353 -1.145600 -1.264280
H -2.730844 -1.543283 2.190002
H -2.562568 -3.137672 1.389727
H -1.124879 -2.093946 1.610485
H -2.076539 -3.287492 -1.119907
H -1.951658 -1.803237 -2.113385
H -0.647497 -2.223151 -0.957493
H -3.976406 0.888810 -0.380047
H 0.825300 1.988956 0.363486
H -3.254324 3.249853 -0.405842
H -0.216316 4.536756 0.921689
H 0.049455 4.442305 -0.834860
H -1.540897 4.949456 -0.201608
H 1.218070 0.188231 -1.945326
H 4.745981 -1.272692 1.315929
H 3.641637 0.168574 -2.642390
H 5.397768 -0.565309 -0.989655
H 2.868975 -1.640155 2.979019
H 1.209753 -1.304481 2.507332


