%chk=000060664.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060664

0 1
 O   0.8660000       1.764000      0.8366000    
 O    5.197800      -1.461200     -0.3445000    
 O    4.935600       1.016200      -1.555700    
 O    3.278500      -2.314300       1.461400    
 O   -1.421000       3.040300      0.2142000    
 N   -2.728400       1.350300       1.133400    
 C   -4.578200       1.521300     -0.4978000    
 C   -4.020600       1.936800      0.8613000    
 C   -4.789100      3.1900000E-02 -0.6171000    
 C    1.943300      0.9618000      0.5428000    
 C  -0.3395000       1.120100       1.190600    
 C   -3.761800     -0.7819000      -1.094800    
 C   -6.011100     -0.5313000     -0.2493000    
 C   -1.532800       1.957900      0.7833000    
 C    4.129400     -0.6657000     -5.3199999E-02
 C    4.000800      0.5812000     -0.6652000    
 C    3.164900      -1.098700      0.8567000    
 C    2.907600       1.394800     -0.3672000    
 C    2.071900     -0.2849000       1.154700    
 C   -3.956500      -2.158700      -1.204900    
 C   -6.205800      -1.908200     -0.3594000    
 C   -5.178400      -2.721900     -0.8371000    
 C    5.049100      -2.371800      -1.431400    
 C    4.728800       2.302600      -2.135700    
 C    2.249500      -2.680600       2.378400    
 H   -3.905600       1.855300      -1.298700    
 H   -5.530200       2.038100     -0.6734000    
 H   -3.930900       3.027900      0.9032000    
 H   -4.691000       1.622400       1.668800    
 H   -2.707700      0.4487000       1.601300    
 H  -0.4573000      0.1557000      0.6780000    
 H  -0.3722000      0.9754000       2.276600    
 H   -2.805300     -0.3565000      -1.386900    
 H   -6.818400      9.2000000E-02  0.1261000    
 H    2.747400       2.373500     -0.8070000    
 H    1.326300     -0.5761000       1.883600    
 H   -3.156700      -2.792200      -1.577100    
 H   -7.157000      -2.346900     -7.2499998E-02
 H   -5.329900      -3.793900     -0.9227000    
 H    4.236700      -3.078400      -1.233900    
 H    4.857800      -1.831200      -2.363700    
 H    5.981500      -2.932800      -1.538100    
 H    3.815500       2.331100      -2.739800    
 H    4.754800       3.095300      -1.380200    
 H    5.565800       2.486600      -2.817500    
 H    2.225200      -2.013000       3.246500    
 H    1.275500      -2.762200       1.883700    
 H    2.496200      -3.678800       2.755300    


%chk=000060664-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060664

0 1
O -0.316147 -0.370728 -1.240704
O 4.818253 -1.406642 0.848408
O 2.987141 0.095433 2.290124
O 4.261229 -2.246402 -1.667979
O -2.779442 -0.889919 -3.858276
N -2.762044 0.298738 -1.833972
C -4.965767 0.211947 -0.637084
C -4.162765 0.731671 -1.865745
C -4.408569 0.717698 0.686871
C 0.995909 -0.639380 -0.793162
C -0.730847 -0.877097 -2.551710
C -3.474230 -0.051643 1.429489
C -4.779488 1.994210 1.186450
C -2.194905 -0.487058 -2.805319
C 3.570812 -1.079179 0.293708
C 2.583144 -0.355657 1.024961
C 3.236796 -1.566093 -0.999675
C 1.297446 -0.129822 0.486304
C 1.943641 -1.357517 -1.551231
C -2.924471 0.440893 2.636228
C -4.233563 2.489839 2.391515
C -3.302129 1.714109 3.121401
C 5.748202 -0.273224 1.033469
C 1.984803 0.775038 3.114264
C 3.950252 -2.822805 -2.977351
H -4.962868 -0.893088 -0.662632
H -6.014388 0.543760 -0.761480
H -4.599191 0.341954 -2.801765
H -4.210481 1.838041 -1.895814
H -2.175823 0.531600 -1.025825
H -0.106530 -0.444535 -3.358778
H -0.654339 -1.981240 -2.593999
H -3.185262 -1.045815 1.067247
H -5.508110 2.598820 0.631395
H 0.523048 0.419766 1.026384
H 1.697233 -1.740185 -2.543314
H -2.213774 -0.174342 3.200546
H -4.538043 3.474182 2.765025
H -2.884491 2.094303 4.060554
H 5.974455 0.204699 0.060803
H 5.326989 0.467221 1.736788
H 6.663799 -0.717349 1.453188
H 1.636813 1.711989 2.637495
H 1.117347 0.116002 3.312466
H 2.500151 1.006200 4.057977
H 3.134994 -3.569222 -2.907287
H 3.677105 -2.040139 -3.712593
H 4.878606 -3.319032 -3.295665


