%chk=000101571.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101571

0 1
 O  -0.6405000       3.827100       2.445000    
 N   0.3311000       1.248900     -5.1000002E-03
 C    2.612800      0.3240000      0.4850000    
 C   -1.112400     -3.7500001E-02  -1.612500    
 C    1.638800      0.9133000     -0.5576000    
 C  -0.6700000       1.338100      -1.069300    
 C    2.072000     -0.9456000       1.186900    
 C   -1.684000     -0.9770000     -0.5228000    
 C    4.009300      7.7000000E-03 -0.1020000    
 C   -2.141500      6.8599999E-02  -2.763300    
 C   0.3945000       2.507500      0.7394000    
 C    1.834900      -2.166800      0.2905000    
 C   -2.971900     -0.5110000      0.1667000    
 C    4.656200       1.181600     -0.8240000    
 C   -1.698100      0.9697000      -3.907300    
 C    1.217400      -3.354500       1.029100    
 C   -3.431400      -1.438800       1.291600    
 C  -0.7512000       2.600800       1.734600    
 C    1.096000      -4.569100      0.1214000    
 C   -4.762200     -0.9871000       1.873700    
 H    2.778500       1.070400       1.271800    
 H  -0.2420000     -0.5468000      -2.042400    
 H    1.566500      0.1853000      -1.371500    
 H    2.073100       1.809800      -1.018400    
 H   -1.572600       1.858100     -0.7317000    
 H  -0.2700000       1.956000      -1.883300    
 H    2.775500      -1.231300       1.980500    
 H    1.136400     -0.6964000       1.702700    
 H   -1.863600      -1.964200     -0.9686000    
 H  -0.9240000      -1.134300      0.2490000    
 H    3.951100     -0.8180000     -0.8187000    
 H    4.674400     -0.3171000      0.7075000    
 H   -2.340100     -0.9340000      -3.161600    
 H   -3.095300      0.4612000      -2.396000    
 H   0.3980000       3.379800      7.1400002E-02
 H    1.320000       2.595300       1.320100    
 H    1.192400      -1.902200     -0.5538000    
 H    2.789500      -2.495600     -0.1345000    
 H   -2.833300      0.4930000      0.5802000    
 H   -3.779500     -0.4440000     -0.5699000    
 H    4.141600       1.413300      -1.761100    
 H    5.693700      0.9384000      -1.075700    
 H    4.662500       2.076800     -0.1945000    
 H   -1.685100       2.022600      -3.611100    
 H   -2.395900      0.8778000      -4.746200    
 H  -0.7018000      0.6918000      -4.265000    
 H   0.2263000      -3.082900       1.409500    
 H    1.836800      -3.615300       1.895000    
 H   -2.675000      -1.462600       2.084500    
 H   -3.535200      -2.461200      0.9104000    
 H   -1.731400       2.593300       1.252100    
 H  -0.7091000       1.778600       2.457400    
 H    2.077600      -4.886700     -0.2444000    
 H   0.6500000      -5.406300      0.6672000    
 H   0.4607000      -4.349800     -0.7428000    
 H   -5.546600     -0.9896000       1.110100    
 H   -5.070800      -1.660500       2.679500    
 H   -4.686500      2.4100000E-02   2.286100    
 H   -1.374200       3.855200       3.082500    


%chk=000101571-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101571

0 1
O -0.513336 3.745606 2.629318
N 0.321682 1.287239 -0.066842
C 2.615511 0.298859 0.398794
C -1.306016 -0.185959 -1.352202
C 1.646279 0.928230 -0.639815
C -0.783799 1.248041 -1.061783
C 2.106824 -1.083750 0.893799
C -2.000570 -0.809463 -0.109190
C 4.068834 0.236990 -0.151040
C -2.211912 -0.210979 -2.615828
C 0.345276 2.539867 0.728251
C 2.191643 -2.244971 -0.125265
C -3.377922 -0.215089 0.272302
C 4.793579 1.602091 -0.171064
C -1.436756 -0.102152 -3.948329
C 1.580558 -3.554014 0.427430
C -3.963782 -0.865049 1.546956
C -0.577583 2.438685 1.950278
C 1.668210 -4.732351 -0.566126
C -5.344409 -0.295172 1.938525
H 2.631745 0.968221 1.286745
H -0.422156 -0.823532 -1.572610
H 1.480623 0.200169 -1.455728
H 2.130201 1.818417 -1.112237
H -1.620996 1.854582 -0.667532
H -0.473437 1.734616 -2.019419
H 2.684030 -1.370221 1.798171
H 1.052092 -0.960663 1.212081
H -2.129425 -1.898246 -0.286244
H -1.310180 -0.704085 0.751908
H 4.062675 -0.194840 -1.172798
H 4.653375 -0.466502 0.475914
H -2.790614 -1.157016 -2.617108
H -2.959478 0.606363 -2.554960
H 0.049831 3.431285 0.127189
H 1.371269 2.728029 1.091013
H 1.661264 -1.975239 -1.061980
H 3.247888 -2.431351 -0.407159
H -3.294207 0.879492 0.437864
H -4.095674 -0.348834 -0.562308
H 4.267067 2.338497 -0.805838
H 5.823429 1.502973 -0.561403
H 4.859380 2.026895 0.848701
H -0.860484 0.839228 -4.013641
H -2.123867 -0.131413 -4.814227
H -0.722261 -0.940394 -4.057294
H 0.519837 -3.370175 0.696029
H 2.096850 -3.824236 1.371555
H -3.250863 -0.725685 2.385688
H -4.044791 -1.960308 1.390280
H -1.617569 2.209953 1.632589
H -0.223280 1.618928 2.609048
H 2.720812 -4.957240 -0.823133
H 1.219352 -5.651855 -0.146855
H 1.137569 -4.496500 -1.508210
H -6.082647 -0.454559 1.129804
H -5.738049 -0.774529 2.853901
H -5.285590 0.794085 2.125751
H -1.073628 3.720928 3.444584


