%chk=000045838.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045838

0 1
 O   -4.233400      0.6854000      -2.115200    
 O    2.754100       1.843000       1.278000    
 N   -3.499800     -0.3845000     -0.2086000    
 N  -0.8640000     -0.2936000      0.8727000    
 C   -2.468700      -1.206300     -0.8157000    
 C   -3.328800     -0.5439000       1.227900    
 C   -2.574600      -2.505100     -4.4000000E-03
 C   -3.146000      -2.063600       1.359000    
 C   -1.124000     -0.4845000     -0.5696000    
 C   -2.039300      0.2208000       1.606800    
 C   0.3131000      0.5380000       1.098200    
 C   -4.302600      0.4968000     -0.8996000    
 C    1.552500     -7.4100003E-02  0.4457000    
 C   -5.316100       1.241400     -7.0299998E-02
 C   -6.098800       2.193000     -0.9428000    
 C    2.789400      0.7893000      0.6465000    
 C    4.083300      0.3373000      5.5000000E-02
 C    4.108500     -0.8440000     -0.6502000    
 C    5.200200       1.119500      0.2382000    
 C    5.317700      -1.266400      -1.202600    
 C    6.409400      0.6973000     -0.3142000    
 C    6.468000     -0.4958000      -1.034700    
 H   -2.641500      -1.357000      -1.885700    
 H   -4.181700     -0.1764000       1.803300    
 H   -1.619800      -3.031700      9.0400003E-02
 H   -3.284400      -3.190800     -0.4827000    
 H   -4.118300      -2.547600       1.511000    
 H   -2.501200      -2.347500       2.196800    
 H  -0.3505000      -1.113500      -1.021900    
 H   -1.134000      0.4824000      -1.089800    
 H   -2.182100       1.288100       1.391500    
 H   -1.866000      0.1172000       2.684400    
 H   0.4965000      0.6299000       2.176600    
 H   0.1518000       1.555300      0.7172000    
 H    1.735800      -1.066200      0.8735000    
 H    1.418300     -0.1460000     -0.6377000    
 H   -5.993800      0.5213000      0.4000000    
 H   -4.800000       1.807100      0.7122000    
 H   -6.832200       2.739900     -0.3415000    
 H   -6.643500       1.660700      -1.730100    
 H   -5.444400       2.929000      -1.422500    
 H    3.241700      -1.475800     -0.8051000    
 H    5.176500       2.050900      0.7952000    
 H    5.364300      -2.195500      -1.763500    
 H    7.305400       1.297100     -0.1837000    
 H    7.409600     -0.8246000      -1.464700    


%chk=000045838-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045838

0 1
O -4.680951 0.464586 -2.106971
O 2.886215 1.724199 1.445297
N -3.629827 -0.339888 -0.206869
N -0.868650 -0.047228 0.574480
C -2.568528 -1.095271 -0.917679
C -3.245113 -0.431427 1.223387
C -2.459980 -2.390116 -0.060297
C -2.906987 -1.946544 1.375583
C -1.271000 -0.248729 -0.845044
C -1.985382 0.454513 1.418587
C 0.355623 0.770159 0.742166
C -4.597890 0.420465 -0.837066
C 1.609183 0.063113 0.198081
C -5.567899 1.185133 0.081743
C -6.673728 1.903227 -0.712031
C 2.908476 0.735157 0.653172
C 4.217319 0.191484 0.148390
C 4.297092 -0.944002 -0.702828
C 5.416960 0.842398 0.547359
C 5.550826 -1.416412 -1.146203
C 6.667861 0.371630 0.103561
C 6.738013 -0.759809 -0.745588
H -2.865033 -1.257000 -1.965338
H -4.053962 -0.094796 1.890715
H -1.428656 -2.780266 -0.060433
H -3.131941 -3.167503 -0.463330
H -3.801303 -2.504659 1.703689
H -2.104746 -2.097616 2.116719
H -0.458329 -0.778076 -1.375199
H -1.451651 0.719963 -1.374254
H -2.259560 1.513476 1.175355
H -1.659817 0.426131 2.475864
H 0.501922 0.956356 1.821253
H 0.258567 1.775932 0.262914
H 1.604910 -0.989588 0.549099
H 1.601777 0.019810 -0.908657
H -6.015252 0.478896 0.810029
H -4.990441 1.919734 0.680001
H -7.332427 2.471700 -0.030532
H -7.286211 1.179359 -1.275603
H -6.236210 2.597574 -1.448476
H 3.386841 -1.464211 -1.018751
H 5.334419 1.713729 1.205646
H 5.604741 -2.292640 -1.801411
H 7.586726 0.880258 0.414885
H 7.710603 -1.126897 -1.092115


