%chk=000081487.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081487

1 1
 O    3.687800      -3.616700      -1.321700    
 N    4.109000     -0.4271000      0.5943000    
 C    3.428500      0.5167000     -0.3224000    
 C    3.014200       1.781900      0.4188000    
 C    4.535500      -1.701600     -0.1491000    
 C    2.250400       2.820900     -0.4105000    
 C    5.366700      0.2108000       1.202800    
 C    3.180000     -0.8377000       1.746400    
 C   0.9581000       2.328600      -1.068900    
 C  -4.9300000E-02   1.747800     -7.3200002E-02
 C   -1.353600       1.356600     -0.7732000    
 C    3.302100      -2.417200     -0.6637000    
 C   -2.411200      0.7935000      0.1807000    
 C   -3.705800      0.3795000     -0.5225000    
 C   -4.751800     -0.1059000      0.4837000    
 C   -6.060100     -0.4840000     -0.2128000    
 C   -7.093700      -1.000500      0.7877000    
 C   -8.406900      -1.345600      0.1037000    
 H    2.533700      4.0199999E-02 -0.7268000    
 H    4.108100      0.7518000      -1.149900    
 H    2.399900       1.554800       1.295000    
 H    3.899400       2.307100      0.7938000    
 H    5.102300      -2.335400      0.5436000    
 H    5.204900      -1.410200     -0.9672000    
 H    2.015800       3.676800      0.2349000    
 H    2.914000       3.201400      -1.197100    
 H    5.914700     -0.5673000       1.743800    
 H    5.084900      0.9968000       1.907100    
 H    5.979600      0.6071000      0.3881000    
 H    3.161100     -4.0100001E-02   2.495000    
 H    3.582200      -1.742000       2.214100    
 H    2.170100      -1.006000       1.362500    
 H   0.4999000       3.174800      -1.596000    
 H    1.193600       1.580800      -1.835300    
 H   0.3667000      0.8614000      0.4178000    
 H  -0.2607000       2.486100      0.7095000    
 H   -1.767800       2.233900      -1.285400    
 H   -1.136900      0.6106000      -1.548000    
 H    2.757700      -1.838600      -1.411900    
 H    2.603600      -2.710900      0.1226000    
 H   -1.994800     -7.3399998E-02  0.7084000    
 H   -2.637900       1.549100      0.9432000    
 H   -3.491900     -0.4135000      -1.249000    
 H   -4.104900       1.233500      -1.083100    
 H   -4.359800     -0.9732000       1.028800    
 H   -4.945600      0.6806000       1.223200    
 H   -6.461100      0.3911000     -0.7385000    
 H   -5.865900      -1.254100     -0.9692000    
 H   -6.706900      -1.891200       1.296500    
 H   -7.278900     -0.2420000       1.557200    
 H    4.155400      -4.169900     -0.6729000    
 H   -8.837000     -0.4662000     -0.3864000    
 H   -9.131000      -1.713800      0.8372000    
 H   -8.262700      -2.124400     -0.6519000    


%chk=000081487-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081487

1 1
O 4.140921 -3.646629 -1.187262
N 4.177385 -0.422937 0.756063
C 3.452577 0.588422 -0.177317
C 3.044506 1.919175 0.470562
C 4.577202 -1.674596 -0.054346
C 2.305320 2.823859 -0.560003
C 5.469513 0.185962 1.302018
C 3.282319 -0.811615 1.932005
C 1.016521 2.223200 -1.176962
C -0.042753 1.756719 -0.150782
C -1.374031 1.339523 -0.817059
C 3.427213 -2.467053 -0.702687
C -2.422943 0.798601 0.180586
C -3.765920 0.434769 -0.492461
C -4.813108 -0.131697 0.492961
C -6.162704 -0.468106 -0.180781
C -7.210071 -1.042395 0.800761
C -8.558080 -1.363895 0.120450
H 2.558495 0.063263 -0.550124
H 4.139358 0.757493 -1.026791
H 2.374787 1.745211 1.332596
H 3.929366 2.471440 0.836839
H 5.111946 -2.351488 0.633872
H 5.281646 -1.347195 -0.837127
H 2.047715 3.764559 -0.037340
H 3.007857 3.102822 -1.370763
H 5.991130 -0.572809 1.905507
H 5.231274 1.056411 1.928198
H 6.105999 0.493976 0.458628
H 3.201425 0.039512 2.622355
H 3.735426 -1.669738 2.451768
H 2.281710 -1.079587 1.563919
H 0.562362 2.999871 -1.822469
H 1.261409 1.385122 -1.863512
H 0.340664 0.898603 0.446494
H -0.236881 2.573053 0.575261
H -1.797002 2.213829 -1.352518
H -1.175434 0.570462 -1.593331
H 2.956863 -1.906020 -1.534908
H 2.647632 -2.742043 0.037225
H -2.017492 -0.098469 0.696003
H -2.604773 1.555925 0.971202
H -3.585534 -0.305648 -1.299913
H -4.181715 1.336895 -0.987100
H -4.408006 -1.045413 0.977111
H -4.985325 0.601893 1.308111
H -6.573410 0.446529 -0.657053
H -5.994440 -1.196374 -1.001769
H -6.803551 -1.960801 1.271872
H -7.373983 -0.317062 1.623741
H 3.548759 -4.221948 -1.732980
H -9.001962 -0.455953 -0.329457
H -9.288121 -1.773416 0.841984
H -8.428362 -2.108513 -0.687473


