%chk=000176838.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176838

0 1
 O   -2.270900      0.3185000      0.4379000    
 O    2.853700      0.7933000       1.228700    
 O   -4.008400     -0.3972000     -0.8826000    
 N   -3.973500     -0.7783000       1.405600    
 N   -1.150500      -1.023200      -2.478400    
 C  -0.3635000       1.578700     -0.2908000    
 C   -1.628400      0.8704000     -0.7167000    
 C   0.6654000      0.8455000      0.2772000    
 C    1.833300       1.499300      0.6698000    
 C  -0.2574000       2.947000     -0.4772000    
 C    1.955800       2.877000      0.4887000    
 C   0.9104000       3.600900     -8.4700003E-02
 C    3.212000     -0.4033000      0.6308000    
 C   -5.229900      -1.482600       1.519000    
 C   -3.470800     -0.2963000      0.2154000    
 C    3.337500     -0.4576000     -0.7456000    
 C    3.434600      -1.513100       1.425500    
 C   -1.359500     -0.1878000      -1.700500    
 C   -5.908500      -1.615900      0.1663000    
 C    3.697600      -1.663100      -1.347800    
 C    3.794800      -2.718600      0.8231000    
 C    3.926400      -2.793500     -0.5636000    
 H   -2.315800       1.602900      -1.160800    
 H   0.5453000     -0.2224000      0.4403000    
 H   -1.063800       3.522800     -0.9223000    
 H    2.863400       3.391800      0.7920000    
 H    1.005900       4.673500     -0.2257000    
 H   -5.021300      -2.466400       1.950100    
 H   -5.860300     -0.9264000       2.219400    
 H   -3.429800     -0.6299000       2.250300    
 H    3.187900      0.4138000      -1.376300    
 H    3.332100      -1.456300       2.504900    
 H   -6.191600     -0.6504000     -0.2653000    
 H   -5.334200      -2.223700     -0.5404000    
 H   -6.852600      -2.155900      0.3125000    
 H    3.805100      -1.720300      -2.427100    
 H    3.973000      -3.598900       1.433800    
 H    4.208000      -3.731800      -1.032400    


%chk=000176838-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176838

0 1
O -2.440986 -0.976439 -0.577096
O 2.642682 0.851663 1.061148
O -4.129093 0.573208 -1.185889
N -4.472993 -1.102502 0.434556
N -0.239590 -2.180013 -2.882962
C -0.613923 0.696910 -0.809122
C -1.532429 -0.271871 -1.543624
C 0.622708 0.266947 -0.272727
C 1.426410 1.192606 0.429437
C -1.046472 2.034945 -0.638404
C 1.003911 2.529743 0.611283
C -0.234897 2.942128 0.078674
C 3.442941 -0.233586 0.607365
C -5.857833 -0.743908 0.788161
C -3.748069 -0.407065 -0.493849
C 3.665645 -0.496693 -0.763992
C 4.099512 -0.976339 1.611745
C -0.818699 -1.334227 -2.274407
C -5.975140 -0.154673 2.208990
C 4.549638 -1.538087 -1.124053
C 4.986534 -2.009017 1.235837
C 5.211231 -2.297637 -0.130858
H -2.182548 0.288919 -2.244678
H 0.948564 -0.771022 -0.396253
H -2.011965 2.349136 -1.048992
H 1.650995 3.217304 1.163824
H -0.563450 3.977522 0.216135
H -6.195934 -0.009701 0.037977
H -6.496530 -1.642528 0.690564
H -4.001661 -1.865292 0.923691
H 3.168837 0.100771 -1.534648
H 3.910406 -0.734258 2.661807
H -5.632191 -0.873814 2.975580
H -5.370628 0.764058 2.301237
H -7.028414 0.097882 2.428735
H 4.721947 -1.750404 -2.184692
H 5.498118 -2.589165 2.011570
H 5.894863 -3.103000 -0.418969


