%chk=000152938.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152938

0 1
 O   0.4213000      -1.896000     -0.2817000    
 O    2.867800      -3.267100     -0.1085000    
 O   -1.135900       3.592500      8.6300001E-02
 O   -3.394500       3.689200      0.2032000    
 N    3.004500      0.3600000      0.6204000    
 N   -3.392600      0.7468000      4.7300000E-02
 C    3.533000       1.484700     -0.1396000    
 C    3.158000     -0.8859000     -0.1184000    
 C    2.620000      -2.087500      0.6619000    
 C    3.354400       2.761300      0.6891000    
 C    5.020900       1.236100     -0.4082000    
 C    2.771400       1.605900      -1.464800    
 C    1.123400      -1.998200      0.9521000    
 C   -1.607700     -0.5820000     -0.1117000    
 C  -0.9439000      -1.821000     -0.2103000    
 C   -3.002400     -0.5704000     -4.1900001E-02
 C   -1.175700      0.7729000     -6.1099999E-02
 C   -2.295700       1.566000      3.6400001E-02
 C   -1.698300      -2.999700     -0.2354000    
 C   -3.769600      -1.740600     -6.6100001E-02
 C   -3.089300      -2.957700     -0.1644000    
 C   -2.369100       2.990700      0.1154000    
 H    2.020700      0.5215000      0.8297000    
 H    2.653300     -0.8760000      -1.089700    
 H    4.210300      -1.113000     -0.3185000    
 H    3.160400      -2.196800       1.609800    
 H    3.879800       2.691000       1.648800    
 H    3.750100       3.635700      0.1598000    
 H    2.296300       2.955800      0.9010000    
 H    5.497100       2.156500     -0.7692000    
 H    5.208600      0.4840000      -1.181900    
 H    5.555900      0.9419000      0.5028000    
 H    1.687000       1.600100      -1.319400    
 H    3.016500       2.558700      -1.951200    
 H    3.028400      0.8293000      -2.192400    
 H   0.8875000      -1.147100       1.599900    
 H   0.8025000      -2.916600       1.459500    
 H    3.830000      -3.345300     -0.2252000    
 H  -0.1528000       1.118500     -8.3700001E-02
 H   -4.351500       1.060200      0.1115000    
 H   -1.198100      -3.962200     -0.3120000    
 H   -4.852600      -1.708900     -1.0800000E-02
 H   -3.655600      -3.885300     -0.1857000    
 H   -1.208900       4.569300      0.1417000    


%chk=000152938-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152938

0 1
O 0.390167 -0.705124 1.163872
O 1.991879 -3.383286 0.104741
O -2.950122 3.980677 0.912362
O -4.899861 3.267123 -0.158247
N 3.138213 0.220160 0.332589
N -3.798597 0.635809 -0.369539
C 3.979256 1.210994 -0.415836
C 2.800996 -1.057885 -0.327063
C 2.455383 -2.128710 0.735089
C 4.015423 2.488622 0.458020
C 5.418934 0.658427 -0.567593
C 3.390992 1.554649 -1.817521
C 1.356254 -1.679751 1.716086
C -1.777405 -0.146023 0.334152
C -0.775915 -1.146985 0.519451
C -3.011269 -0.509948 -0.321649
C -1.855771 1.245436 0.675510
C -3.106661 1.702673 0.231148
C -1.010365 -2.454159 0.058006
C -3.267116 -1.824929 -0.780304
C -2.249719 -2.774430 -0.577527
C -3.748154 3.007939 0.291831
H 2.272266 0.665899 0.671348
H 1.947505 -0.992589 -1.039371
H 3.680718 -1.411332 -0.898805
H 3.363135 -2.331663 1.343357
H 4.428283 2.257563 1.455857
H 4.640064 3.268063 -0.013454
H 2.998167 2.905303 0.592060
H 6.075834 1.420973 -1.024278
H 5.454418 -0.236444 -1.216607
H 5.825048 0.385461 0.422183
H 2.371003 1.972393 -1.721321
H 4.020378 2.299379 -2.339722
H 3.332417 0.655136 -2.458329
H 1.825744 -1.123983 2.542505
H 0.827922 -2.565340 2.115205
H 2.643982 -3.667151 -0.583922
H -1.106950 1.846126 1.184562
H -4.733440 0.733207 -0.764667
H -0.227623 -3.213548 0.139550
H -4.206929 -2.094211 -1.271681
H -2.401023 -3.802062 -0.926883
H -3.452565 4.838841 0.919636


