%chk=000157924.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157924

0 1
 O   -1.688800      0.8839000      0.5364000    
 O  -0.9715000      0.5912000       2.718000    
 O   -3.515800     -0.2976000       1.517600    
 O   -5.142200      -1.869100       1.028000    
 N    4.606300      0.6252000     -0.5458000    
 N    1.202100     -0.5285000      0.4590000    
 C    2.569500       2.016600      0.2021000    
 C    3.397800      0.6990000      0.3142000    
 C    2.396600       2.436500      -1.275700    
 C    2.533500     -0.5067000      0.1224000    
 C    4.351500      0.9987000      -1.941800    
 C    3.710600       2.379500      -2.048900    
 C    3.298800       3.132500      0.9818000    
 C    5.245400     -0.7140000     -0.4478000    
 C    2.949700      -1.721500     -0.3465000    
 C    1.172100       1.836000      0.8093000    
 C    4.343600      -1.920000     -0.8312000    
 C   0.5607000      0.6352000      0.9102000    
 C    1.829800      -2.583200     -0.2805000    
 C   0.7443000      -1.829200      0.2159000    
 C    3.459600       2.766700       2.414400    
 C  -0.7724000      0.6964000       1.518900    
 C    1.635800      -3.939300     -0.6195000    
 C  -0.5296000      -2.414300      0.3348000    
 C   0.3745000      -4.517200     -0.4712000    
 C  -0.6929000      -3.761500     -5.7000001E-03
 C   -3.048500      0.9658000      0.9760000    
 C   -3.952800       1.169800     -0.1779000    
 C   -4.837100      0.1138000     -0.2682000    
 C   -4.560100     -0.8263000      0.8060000    
 C   -4.011600       2.211800      -1.086000    
 C   -5.806400      3.3000000E-02  -1.250900    
 C   -4.980700       2.160100      -2.092700    
 C   -5.872100       1.076700      -2.174700    
 H    3.759300      0.5774000       1.341100    
 H    1.978200       3.448900      -1.344100    
 H    1.675500       1.775100      -1.775900    
 H    3.707500      0.2692000      -2.447700    
 H    5.300800       1.020200      -2.490700    
 H    3.518000       2.607900      -3.103800    
 H    4.404400       3.147300      -1.688200    
 H    2.728600       4.068300      0.9100000    
 H    4.285600       3.343300      0.5549000    
 H    5.578500     -0.8462000      0.5909000    
 H    6.162600     -0.7384000      -1.049200    
 H   0.6520000       2.738800       1.126400    
 H    4.766900      -2.839400     -0.4118000    
 H    4.325900      -2.031200      -1.922000    
 H    2.561800       2.360500       2.887700    
 H    4.289700       2.074700       2.585600    
 H    3.721800       3.667300       2.983700    
 H    2.460400      -4.535700      -1.000800    
 H   -1.381000      -1.849800      0.6950000    
 H   0.2263000      -5.561400     -0.7320000    
 H   -1.672900      -4.220900      9.5399998E-02
 H   -3.178100       1.752000       1.729200    
 H   -3.325700       3.049800      -1.024400    
 H   -6.493200     -0.8037000      -1.309000    
 H   -5.046800       2.965300      -2.819300    
 H   -6.618700       1.054200      -2.963700    


%chk=000157924-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157924

0 1
O -2.015208 0.431140 -0.065043
O -1.469704 -1.410011 1.282458
O -4.049648 -0.563656 -0.846881
O -5.678956 -0.173439 -2.491147
N 4.474052 0.817267 -0.244492
N 1.314168 -1.165816 0.271321
C 2.036912 1.549115 -0.623026
C 3.057167 0.725918 0.236031
C 2.279928 1.263957 -2.151679
C 2.657808 -0.726069 0.323163
C 4.647519 0.540214 -1.696556
C 3.758235 1.464573 -2.543980
C 2.180758 3.079276 -0.343807
C 5.339466 -0.062420 0.596855
C 3.523817 -1.798495 0.422939
C 0.628148 1.085085 -0.297518
C 5.019317 -1.595615 0.481425
C 0.294697 -0.192156 0.094663
C 2.707375 -3.000243 0.391480
C 1.324708 -2.593463 0.286005
C 1.794413 3.538859 1.079650
C -1.097049 -0.504394 0.507201
C 3.035321 -4.377893 0.415015
C 0.289670 -3.546221 0.177840
C 2.000376 -5.329010 0.317900
C 0.646046 -4.912612 0.194999
C -3.428483 0.213204 0.250343
C -4.151684 1.542409 0.251660
C -5.094086 1.546778 -0.796760
C -5.039234 0.246308 -1.518192
C -3.992353 2.660517 1.086082
C -5.915457 2.661357 -1.051023
C -4.815491 3.788457 0.841597
C -5.766456 3.790075 -0.212857
H 3.053583 1.164216 1.255713
H 1.615974 1.919393 -2.746203
H 1.987476 0.219311 -2.376440
H 4.403450 -0.518077 -1.959366
H 5.715633 0.703763 -1.935159
H 3.894119 1.221167 -3.614902
H 4.066949 2.516151 -2.402895
H 1.551755 3.619481 -1.080775
H 3.228399 3.372119 -0.536922
H 5.207634 0.254489 1.649102
H 6.394353 0.122586 0.321839
H -0.187330 1.806960 -0.396626
H 5.464347 -2.121211 1.349450
H 5.501890 -2.026775 -0.419762
H 0.756314 3.258100 1.337538
H 2.460229 3.106746 1.848363
H 1.875154 4.638326 1.160538
H 4.080736 -4.695895 0.498059
H -0.759012 -3.258031 0.099005
H 2.236475 -6.398833 0.331954
H -0.145078 -5.666371 0.115161
H -3.507583 -0.398894 1.165507
H -3.256816 2.668347 1.896798
H -6.640987 2.642013 -1.870289
H -4.717528 4.675329 1.476984
H -6.389125 4.676093 -0.375037


