%chk=000036899.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036899

1 1
 O   0.6990000     -0.6676000      -1.228000    
 N   -2.087900      -1.223000      -1.040500    
 N   -2.571700      -2.303000      0.7710000    
 C   -1.443400     -0.8766000      -2.292500    
 C    1.857200      0.1206000     -0.9889000    
 C   -3.092900     -0.5065000     -0.4238000    
 C  -0.2268000      6.8999999E-03  -2.069100    
 C   -3.405100      -1.203700      0.7457000    
 C   -1.785200      -2.301300     -0.3102000    
 C    1.471600       1.421600     -0.3161000    
 C    2.913800     -0.6502000     -0.2214000    
 C   -3.738500      0.6694000     -0.7876000    
 C   -4.384900     -0.7739000       1.632800    
 C   -4.729900       1.115900      9.7900003E-02
 C    2.239400       2.550400     -0.5408000    
 C    4.247400     -0.3464000     -0.4236000    
 C   0.3602000       1.451500      0.5073000    
 C    2.517400      -1.637200      0.6620000    
 C   -5.045400      0.4114000       1.279200    
 C    1.884300       3.748600      7.8699999E-02
 C    5.219300      -1.055100      0.2825000    
 C   5.1000002E-03   2.649900       1.126700    
 C    3.489400      -2.345800       1.368100    
 C   0.7672000       3.798500      0.9122000    
 C    4.840400      -2.054700       1.178300    
 H   -2.162300     -0.3923000      -2.961300    
 H   -1.136700      -1.814900      -2.770800    
 H    2.280100      0.3468000      -1.979300    
 H  -0.5787000      0.9640000      -1.680200    
 H   0.2446000      0.1973000      -3.041100    
 H   -1.039200      -3.043700     -0.5426000    
 H   -2.555900      -3.009400       1.501500    
 H   -3.491100       1.208100      -1.693200    
 H   -4.617100      -1.323400       2.535800    
 H    3.107700       2.526200      -1.192200    
 H    4.555700      0.4259000      -1.121700    
 H  -0.2308000      0.5664000      0.7220000    
 H    1.471100      -1.872800      0.8318000    
 H   -5.270800       2.031500     -0.1307000    
 H   -5.822700      0.8001000       1.933400    
 H    2.477100       4.643100     -8.9000002E-02
 H    6.271200     -0.8293000      0.1340000    
 H  -0.8605000       2.686800       1.781700    
 H    3.194600      -3.122700       2.067500    
 H   0.4914000       4.731200       1.395500    
 H    5.597300      -2.606200       1.728400    


%chk=000036899-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036899

1 1
O 0.589007 -0.179544 -1.015241
N -2.129541 -0.957858 -1.047369
N -2.343103 -2.349759 0.665946
C -1.503218 -0.229837 -2.182127
C 1.982073 0.375632 -0.887175
C -3.448468 -0.787755 -0.547319
C -0.353697 0.682356 -1.726440
C -3.585082 -1.685018 0.554320
C -1.493790 -1.896458 -0.297497
C 1.975292 1.792741 -0.311410
C 2.765510 -0.646944 -0.075768
C -4.510954 0.046565 -0.950778
C -4.780420 -1.785972 1.292641
C -5.707355 -0.052634 -0.212738
C 2.331643 2.880081 -1.148027
C 4.117713 -0.903542 -0.408733
C 1.606977 2.051664 1.034226
C 2.188626 -1.325207 1.028544
C -5.840497 -0.951133 0.886878
C 2.322846 4.204447 -0.653769
C 4.884617 -1.815542 0.350030
C 1.587484 3.373839 1.526810
C 2.952263 -2.242624 1.783665
C 1.946084 4.454212 0.684940
C 4.303767 -2.489357 1.448621
H -2.287530 0.360278 -2.682561
H -1.121476 -0.977062 -2.898301
H 2.401195 0.424259 -1.914614
H -0.706807 1.505145 -1.074849
H 0.105903 1.127158 -2.633343
H -0.459412 -2.195972 -0.443984
H -2.104373 -3.064314 1.354677
H -4.426934 0.741367 -1.790773
H -4.889187 -2.473414 2.136211
H 2.632981 2.691336 -2.186800
H 4.577744 -0.385664 -1.259143
H 1.357263 1.220565 1.702017
H 1.144152 -1.128404 1.296717
H -6.558167 0.576427 -0.490553
H -6.790441 -0.992527 1.427706
H 2.612223 5.034529 -1.306824
H 5.929978 -2.002276 0.082909
H 1.309081 3.564074 2.569052
H 2.501530 -2.757075 2.639972
H 1.941771 5.478354 1.072866
H 4.897728 -3.196735 2.036787


