%chk=000033597.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033597

0 1
 O  -0.6775000      0.6567000     -0.1209000    
 O    2.303900      0.2168000       1.839700    
 O  -0.1626000       1.195600       2.059900    
 N   -3.958500     -0.2363000      0.7674000    
 C   -2.823100      0.9878000      -1.223900    
 C   -1.999700       1.148000      6.6900000E-02
 C   -4.220300       1.562700     -0.9508000    
 C   -2.990300     -0.5133000      -1.518900    
 C   -2.678100      0.3656000       1.205800    
 C   -4.842100      0.8327000      0.2517000    
 C   -3.679800      -1.193400     -0.3253000    
 C    2.218400       1.116300     -0.3438000    
 C    1.533500      0.1779000      0.6344000    
 C    2.315000       2.550800      0.1661000    
 C    3.680500      0.7611000     -0.5946000    
 C    3.395500       3.182800     -0.7061000    
 C    4.267300       2.029300      -1.205400    
 C   0.1513000      0.7393000      0.9672000    
 C    1.442900      -1.283300      0.2151000    
 C    1.263700      -1.583700      -1.119300    
 C    1.542400      -2.261300       1.182900    
 C    1.180400      -2.922100      -1.503300    
 C    1.459100      -3.599700      0.7990000    
 C    1.278000      -3.930100     -0.5441000    
 H   -2.337300       1.485900      -2.069400    
 H   -1.941000       2.215600      0.3185000    
 H   -4.857700       1.439900      -1.834500    
 H   -4.154200       2.637200     -0.7433000    
 H   -2.015600     -0.9786000      -1.705200    
 H   -3.592100     -0.6523000      -2.425000    
 H   -2.051100     -0.4393000       1.608100    
 H   -2.879600       1.040300       2.047800    
 H   -5.060900       1.549900       1.052700    
 H   -5.812000      0.4057000     -3.2299999E-02
 H   -4.615100      -1.664900     -0.6519000    
 H   -3.053900      -2.013000      4.9699999E-02
 H    1.688500       1.153200      -1.305100    
 H    2.639700       2.616000       1.209300    
 H    1.368700       3.094500      7.9000004E-02
 H    3.803300     -9.3800001E-02  -1.266200    
 H    4.216900      0.5330000      0.3339000    
 H    3.979300       3.920300     -0.1459000    
 H    2.943500       3.702200      -1.558900    
 H    4.225000       1.980400      -2.299700    
 H    5.316900       2.160200     -0.9235000    
 H    2.102300       1.033200       2.325500    
 H    1.164900     -0.8266000      -1.888500    
 H    1.664200      -2.036800       2.237700    
 H    1.034400      -3.179600      -2.548300    
 H    1.530300      -4.384900       1.546100    
 H    1.210900      -4.972100     -0.8427000    


%chk=000033597-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033597

0 1
O -0.712361 0.738589 0.109043
O 2.429447 0.504208 1.958296
O -0.158115 1.007906 2.352580
N -4.055138 -0.503816 0.179510
C -2.802407 1.495645 -0.922335
C -2.140009 1.119332 0.416984
C -4.272150 1.897091 -0.604224
C -2.806623 0.275239 -1.884108
C -2.921233 -0.085704 1.047454
C -5.000063 0.642797 0.011288
C -3.530935 -0.918641 -1.159324
C 2.142608 1.006699 -0.422783
C 1.584312 0.216776 0.799919
C 2.149796 2.555852 -0.224871
C 3.611285 0.644965 -0.766493
C 3.456398 3.075240 -0.913689
C 4.061531 1.839384 -1.639642
C 0.155682 0.694730 1.173159
C 1.546642 -1.308473 0.526305
C 0.806567 -1.845989 -0.558896
C 2.288063 -2.184666 1.353645
C 0.807671 -3.236273 -0.805970
C 2.286512 -3.576374 1.106722
C 1.546252 -4.108949 0.027158
H -2.261123 2.343108 -1.378315
H -2.097099 1.981403 1.106994
H -4.765326 2.227026 -1.537238
H -4.294079 2.754163 0.096107
H -1.771326 0.008079 -2.159017
H -3.333924 0.554894 -2.815264
H -2.239273 -0.945435 1.177771
H -3.312399 0.187006 2.042493
H -5.430787 0.878455 1.001125
H -5.827017 0.304465 -0.637967
H -4.381972 -1.292945 -1.755908
H -2.838759 -1.764739 -0.998478
H 1.503812 0.755150 -1.291357
H 2.164417 2.797657 0.853173
H 1.243504 3.013798 -0.661266
H 3.702330 -0.330330 -1.275911
H 4.205994 0.604574 0.165031
H 4.165194 3.440629 -0.147826
H 3.263257 3.913672 -1.606951
H 3.633144 1.744000 -2.657240
H 5.159427 1.903411 -1.746242
H 1.819058 0.710234 2.721604
H 0.223325 -1.181758 -1.205700
H 2.870186 -1.757000 2.174650
H 0.232558 -3.638755 -1.647907
H 2.866572 -4.242539 1.755605
H 1.544774 -5.187990 -0.164095


