%chk=000176675.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176675

0 1
 O   0.4833000     -0.9732000      -1.156600    
 O   -3.759000      -1.278100      -1.344700    
 N    1.445500      -1.265200      0.9338000    
 N   -2.633300      -2.007700     -0.9824000    
 C    2.779400     -0.7987000      0.5691000    
 C    3.369000      -1.763300     -0.4991000    
 C    2.771900      0.6587000      8.4700003E-02
 C    3.647400     -0.8987000       1.843300    
 C    3.381500      -3.238700     -0.1049000    
 C   0.4105000      -1.308400      2.2900000E-02
 C    3.742100       1.057400     -0.8018000    
 C    1.795700       1.499900      0.5594000    
 C  -0.8573000      -1.836600      0.6663000    
 C   -2.114800      -1.320500      1.8700000E-02
 C    3.735700       2.381200      -1.241400    
 C    1.789200       2.823600      0.1196000    
 C   -2.816000     -0.1717000      0.3588000    
 C    2.759200       3.264300     -0.7808000    
 C   -3.865500     -0.1833000     -0.5433000    
 C   -2.727400      0.8757000       1.287600    
 C   -4.861600      0.7869000     -0.6001000    
 C   -3.714600       1.871000       1.259100    
 C   -4.760900       1.825400      0.3318000    
 H    4.417700      -1.521000     -0.7061000    
 H    2.839300      -1.667000      -1.454400    
 H    4.696200     -0.6575000       1.634100    
 H    3.610600      -1.893800       2.299200    
 H    3.300700     -0.1952000       2.611100    
 H    1.285900      -1.583700       1.885700    
 H    3.765900      -3.837200     -0.9381000    
 H    4.032900      -3.428000      0.7525000    
 H    2.379200      -3.609800      0.1274000    
 H    4.536400      0.4224000      -1.170300    
 H    1.044300       1.195000       1.279900    
 H  -0.8763000      -1.575700       1.731800    
 H  -0.8251000      -2.931900      0.6086000    
 H    4.494300       2.726900      -1.937700    
 H    1.032600       3.513100      0.4829000    
 H    2.755700       4.295700      -1.121000    
 H   -1.920000      0.9245000       2.011400    
 H   -5.668100      0.7431000      -1.321800    
 H   -3.664700       2.692100       1.969800    
 H   -5.511000       2.612500      0.3348000    


%chk=000176675-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176675

0 1
O 0.270560 -1.070493 -0.935334
O -4.393951 -1.713337 -0.132659
N 1.463566 -1.405965 1.040766
N -3.199801 -2.493350 0.273992
C 2.774887 -0.862188 0.568196
C 3.290057 -1.676003 -0.661966
C 2.614764 0.649664 0.250746
C 3.760616 -1.005913 1.762107
C 3.348674 -3.202615 -0.453429
C 0.320509 -1.470699 0.263471
C 3.183197 1.255530 -0.895837
C 1.926244 1.480008 1.174516
C -0.891696 -2.094683 0.989052
C -2.217613 -1.593355 0.482074
C 3.066250 2.647933 -1.113834
C 1.807145 2.869627 0.961761
C -2.658669 -0.232864 0.236061
C 2.380630 3.463012 -0.187228
C -4.022224 -0.359772 -0.138903
C -2.059637 1.051770 0.275508
C -4.845006 0.732290 -0.466284
C -2.864730 2.161895 -0.044628
C -4.236375 2.003893 -0.406457
H 4.304172 -1.307782 -0.910691
H 2.631899 -1.454119 -1.520121
H 4.751292 -0.615871 1.475090
H 3.879091 -2.063321 2.061616
H 3.414864 -0.424786 2.636295
H 1.429622 -1.784845 1.989607
H 3.687867 -3.694584 -1.382797
H 4.050266 -3.496734 0.348729
H 2.352767 -3.613219 -0.208241
H 3.705000 0.649085 -1.641276
H 1.470661 1.033108 2.067063
H -0.823014 -1.904022 2.079171
H -0.864048 -3.192534 0.853159
H 3.506575 3.093001 -2.013344
H 1.271010 3.489107 1.690255
H 2.290576 4.541577 -0.357758
H -0.999364 1.179730 0.511780
H -5.890901 0.599175 -0.753978
H -2.429146 3.166499 -0.032295
H -4.830082 2.890650 -0.654154


