%chk=000002311.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002311

0 1
 O  -0.7095000       1.962600       1.590700    
 O   0.9589000      -1.828600      -1.440400    
 O   0.8227000      -2.980500      0.5517000    
 O   -1.593200       1.642500      -1.967300    
 O   -2.144800       3.831400      -2.197000    
 N   0.2246000     -0.5476000       1.750800    
 N   -2.631900       1.365400      0.4219000    
 C   -1.197700     -0.3903000       1.440200    
 C   -2.043100     -0.9557000       2.577100    
 C   -3.505600     -0.5324000       2.516200    
 C    1.018900     -0.5465000      0.5330000    
 C   -1.485200       1.089400       1.192100    
 C   -4.070000     -0.5448000       1.118500    
 C   -3.675000      0.4111000      0.1546000    
 C    2.491400     -0.2069000      0.8151000    
 C    3.400700     -0.1565000     -0.4208000    
 C   -2.768000       2.697300     -0.1671000    
 C   0.9232000      -1.934900     -7.7299997E-02
 C   -5.076400      -1.474300      0.8056000    
 C   -4.352300      0.4404000      -1.077800    
 C    4.823000      0.2392000     -0.1137000    
 C   -5.709300      -1.449300     -0.4346000    
 C   -5.353800     -0.4871000      -1.371600    
 C   -2.147000       2.799800      -1.536400    
 C    5.192900       1.584100     -0.1354000    
 C    5.768800     -0.7393000      0.1928000    
 C   0.8687000      -3.063200      -2.158700    
 C    6.508400       1.950300      0.1489000    
 C    7.084200     -0.3729000      0.4773000    
 C    7.454000      0.9719000      0.4554000    
 C   0.9221000      -2.774600      -3.643800    
 H   -1.435100     -0.9549000      0.5294000    
 H   -1.979100      -2.051800       2.549900    
 H   -1.643300     -0.6493000       3.553000    
 H   -4.090700      -1.182900       3.178500    
 H   -3.625500      0.4775000       2.930500    
 H   0.6349000      0.1918000     -0.1826000    
 H   0.5242000      0.1906000       2.386800    
 H    2.906000     -0.9379000       1.523500    
 H    2.537400      0.7666000       1.322400    
 H    3.418400      -1.132800     -0.9200000    
 H    2.982700      0.5434000      -1.156000    
 H   -2.259200       3.425700      0.4733000    
 H   -3.826200       2.975300     -0.2209000    
 H   -5.388300      -2.214700       1.538500    
 H   -4.121700       1.163700      -1.852000    
 H   -6.489200      -2.169800     -0.6622000    
 H   -5.855200     -0.4558000      -2.334700    
 H    4.464500       2.355600     -0.3707000    
 H    5.492300      -1.790100      0.2153000    
 H  -7.5800002E-02  -3.560700      -1.911900    
 H    1.706300      -3.710900      -1.877100    
 H    6.796300       2.997400      0.1324000    
 H    7.820600      -1.134600      0.7166000    
 H    8.478200       1.257100      0.6773000    
 H   0.1009000      -2.112300      -3.937200    
 H    1.853300      -2.259800      -3.902600    
 H   0.8558000      -3.698700      -4.224600    
 H   -1.197300       1.734300      -2.860100    


%chk=000002311-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002311

0 1
O -0.453684 1.966630 1.079284
O 0.161322 -2.158693 -1.220611
O 2.187834 -2.877165 -0.326482
O -1.298632 2.199875 -2.194567
O -1.579568 4.451365 -1.693231
N 0.375820 -0.704157 1.394625
N -2.495305 1.376375 0.147972
C -1.042115 -0.438636 1.126675
C -1.906722 -0.915573 2.324568
C -3.381341 -0.429255 2.231709
C 1.300572 -0.604791 0.227481
C -1.299516 1.059034 0.806702
C -3.951366 -0.512432 0.825669
C -3.497115 0.391011 -0.181025
C 2.710023 -0.203584 0.702724
C 3.711397 0.023023 -0.461719
C -2.670894 2.779534 -0.258257
C 1.314968 -1.988904 -0.446315
C -4.942120 -1.459773 0.474681
C -4.040200 0.349360 -1.487732
C 5.090916 0.413027 0.049544
C -5.491195 -1.504770 -0.827069
C -5.040752 -0.592347 -1.808541
C -1.797234 3.253705 -1.422165
C 5.460665 1.775065 0.192630
C 6.022866 -0.585222 0.436536
C -0.021101 -3.499852 -1.859415
C 6.727398 2.133248 0.708144
C 7.290353 -0.232420 0.951574
C 7.647407 1.129539 1.090021
C -1.327869 -3.438965 -2.644508
H -1.333686 -1.021079 0.233904
H -1.854690 -2.019130 2.347069
H -1.461189 -0.548275 3.269564
H -4.003347 -1.020172 2.927122
H -3.426597 0.624273 2.572715
H 0.939116 0.142955 -0.513881
H 0.721173 -0.121028 2.169815
H 3.102657 -0.990121 1.373747
H 2.620937 0.732389 1.288264
H 3.781175 -0.908522 -1.053450
H 3.314935 0.815226 -1.127154
H -2.424898 3.445788 0.586512
H -3.727340 2.946377 -0.531073
H -5.299056 -2.157711 1.241476
H -3.649600 1.026918 -2.253728
H -6.265400 -2.240029 -1.071266
H -5.454997 -0.621662 -2.822184
H 4.751639 2.558621 -0.103832
H 5.750166 -1.642581 0.328514
H -0.038057 -4.263115 -1.060414
H 0.854422 -3.697298 -2.504116
H 6.997094 3.190959 0.808875
H 7.999463 -1.016412 1.241729
H 8.631060 1.404694 1.487356
H -2.180464 -3.214943 -1.980023
H -1.282855 -2.658170 -3.422962
H -1.514896 -4.411145 -3.136341
H -0.726677 2.570942 -2.920342


