%chk=000030087.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030087

0 1
 O  -0.3464000      0.5921000       2.063700    
 O    2.404200      -2.790500      0.7457000    
 O   -1.459800      -2.125200      -1.598500    
 N  -0.9915000     -0.6070000      0.1447000    
 N   0.3836000      -2.486400     -0.3171000    
 C    2.070500      0.2487000     -4.5899998E-02
 C    1.952000       1.720200      0.3736000    
 C    3.542400     -0.1675000     -0.1690000    
 C    1.335400     -0.6548000      0.9424000    
 C    2.724200       2.639300     -0.5702000    
 C    4.312200      0.7549000      -1.111700    
 C    4.184700       2.217300     -0.6967000    
 C  -7.9499997E-02 -0.1537000       1.119100    
 C    1.433200      -2.082700      0.4866000    
 C  -0.7618000      -1.758900     -0.6491000    
 C   -2.247800      9.9200003E-02  9.8999999E-03
 C   -2.308300       1.455500      0.3063000    
 C   -3.379300     -0.5867000     -0.4150000    
 C   -3.518800       2.136300      0.1761000    
 C   -4.589700      9.4300002E-02 -0.5452000    
 C   -4.659300       1.455800     -0.2497000    
 H    1.612300      0.1487000      -1.040700    
 H    2.328800       1.852600       1.395900    
 H   0.9120000       2.057800      0.3645000    
 H    3.639200      -1.180400     -0.5713000    
 H    4.022000     -0.1599000      0.8180000    
 H    1.811400     -0.6097000       1.931900    
 H    2.669800       3.671600     -0.2061000    
 H    2.253000       2.624900      -1.560800    
 H    3.933000      0.6315000      -2.133900    
 H    5.369700      0.4676000      -1.126900    
 H    4.690700       2.854600      -1.430500    
 H    4.692700       2.369500      0.2636000    
 H   0.4837000      -3.393800     -0.7635000    
 H   -1.440700       2.041900      0.5870000    
 H   -3.405000      -1.657200     -0.5841000    
 H   -3.571200       3.198900      0.3945000    
 H   -5.482400     -0.4383000     -0.8603000    
 H   -5.602100       1.985600     -0.3499000    


%chk=000030087-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000030087

0 1
O -0.476555 0.545833 1.981925
O 2.287849 -2.953304 0.588528
O -1.589832 -2.026401 -1.785624
N -1.040139 -0.594309 0.011377
N 0.385133 -2.411080 -0.624667
C 2.131860 0.287778 -0.043622
C 2.055527 1.743092 0.488873
C 3.613145 -0.161759 -0.154847
C 1.308168 -0.710630 0.885052
C 2.874308 2.709970 -0.400847
C 4.430081 0.805942 -1.044631
C 4.347063 2.260039 -0.528423
C -0.125063 -0.213647 1.047766
C 1.386810 -2.118757 0.319540
C -0.797942 -1.681148 -0.875607
C -2.335191 0.076031 -0.065122
C -2.374938 1.464268 -0.316820
C -3.524843 -0.658194 0.127612
C -3.620711 2.124880 -0.373363
C -4.767909 0.006870 0.060883
C -4.819105 1.398013 -0.186803
H 1.675483 0.258722 -1.057267
H 2.450218 1.767373 1.525046
H 1.008167 2.090911 0.548905
H 3.686480 -1.189529 -0.552370
H 4.054136 -0.187038 0.863051
H 1.779581 -0.706787 1.882055
H 2.816663 3.732520 0.018943
H 2.418263 2.753405 -1.411991
H 4.044324 0.763332 -2.084513
H 5.483375 0.468115 -1.082499
H 4.899172 2.940680 -1.204510
H 4.837497 2.324546 0.464764
H 0.473517 -3.283531 -1.155912
H -1.443005 2.020953 -0.459772
H -3.480704 -1.735064 0.316592
H -3.654912 3.202657 -0.564447
H -5.693499 -0.560453 0.204211
H -5.785371 1.911801 -0.234067


