%chk=000158971.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158971

0 1
 O   -5.842800      -1.483900      0.1072000    
 N   -4.015700      0.6746000     -0.2404000    
 C   -5.321100      0.6659000     -0.9147000    
 C   -4.121100     -3.6100000E-02   1.041700    
 C   -3.548200       2.044400     -3.5700001E-02
 C   -5.813600     -0.7697000      -1.134200    
 C   -4.591200      -1.474700      0.8018000    
 C   -2.179700       2.085700      0.6464000    
 C   -1.089600       1.359200     -0.1476000    
 C   0.2737000       1.488000      0.5374000    
 C    1.357500      0.7387000     -0.2408000    
 C    2.738300      0.8084000      0.4181000    
 C   -5.022300      -1.528400      -2.198700    
 C   -4.795400      -2.206800       2.122500    
 C    3.837500      0.1216000     -0.3972000    
 C    5.204200      0.2848000      0.2736000    
 C    6.341700     -0.4023000     -0.4875000    
 C    7.694800     -0.3021000      0.2203000    
 C    8.777000      -1.065200     -0.5448000    
 C    10.11610      -1.002100      0.1725000    
 H   -5.254400       1.177900      -1.882200    
 H   -6.058800       1.205000     -0.3051000    
 H   -4.822100      0.4843000       1.708300    
 H   -3.156000     -0.1070000       1.551500    
 H   -3.465700       2.550300      -1.006100    
 H   -4.262800       2.621500      0.5657000    
 H   -6.854300     -0.7217000      -1.476000    
 H   -3.848400      -2.031100      0.2180000    
 H   -1.891600       3.142400      0.7318000    
 H   -2.220100       1.721800       1.678500    
 H   -1.032100       1.776800      -1.160200    
 H   -1.338300      0.2966000     -0.2493000    
 H   0.5476000       2.546400      0.6219000    
 H   0.2131000       1.086100       1.556000    
 H    1.068000     -0.3140000     -0.3482000    
 H    1.422500       1.153800      -1.254300    
 H    3.006600       1.861900      0.5663000    
 H    2.685000      0.3525000       1.414400    
 H   -5.136600      -1.053000      -3.178100    
 H   -5.375300      -2.562700      -2.269000    
 H   -3.952900      -1.572400      -1.971100    
 H   -3.868300      -2.249700       2.702300    
 H   -5.140800      -3.230400       1.940900    
 H   -5.567000      -1.718200       2.727700    
 H    3.872500      0.5510000      -1.405500    
 H    3.602100     -0.9437000     -0.5058000    
 H    5.155700     -0.1264000       1.289700    
 H    5.435900       1.352300      0.3750000    
 H    6.086100      -1.460400     -0.6256000    
 H    6.421500      3.7099998E-02  -1.489500    
 H    7.606900     -0.7095000       1.234900    
 H    7.981000      0.7519000      0.3185000    
 H    8.482700      -2.114900     -0.6605000    
 H    8.886400     -0.6458000      -1.551700    
 H    10.04770      -1.445700       1.170900    
 H    10.45560      3.3199999E-02  0.2786000    
 H    10.87510      -1.552300     -0.3925000    


%chk=000158971-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158971

0 1
O -5.909045 -1.585260 -0.001049
N -4.112351 0.677886 -0.116227
C -5.331232 0.622776 -0.961027
C -4.359652 -0.034073 1.162110
C -3.627719 2.069752 0.065291
C -5.718371 -0.840036 -1.271329
C -4.730979 -1.506102 0.892942
C -2.221281 2.168515 0.696326
C -1.125076 1.432928 -0.104389
C 0.272568 1.545368 0.544137
C 1.375507 0.803642 -0.244472
C 2.772027 0.910743 0.408695
C -4.721530 -1.542674 -2.212964
C -5.116661 -2.266481 2.162621
C 3.875529 0.162943 -0.373156
C 5.270620 0.271045 0.282967
C 6.375014 -0.480474 -0.494287
C 7.768919 -0.373876 0.164679
C 8.873466 -1.127457 -0.611222
C 10.261191 -1.019471 0.057419
H -5.133580 1.159361 -1.908304
H -6.198855 1.121031 -0.456460
H -5.188090 0.448524 1.744943
H -3.445261 -0.005804 1.781508
H -3.597316 2.536243 -0.939514
H -4.347963 2.671132 0.680824
H -6.728415 -0.855848 -1.720959
H -3.865838 -1.997275 0.397737
H -1.965460 3.245374 0.774108
H -2.238225 1.787905 1.737611
H -1.089177 1.844989 -1.134751
H -1.410135 0.368199 -0.211450
H 0.550384 2.616380 0.641791
H 0.230407 1.141841 1.578156
H 1.097722 -0.266809 -0.342334
H 1.421704 1.207133 -1.277716
H 3.051069 1.981427 0.502304
H 2.723257 0.511881 1.443809
H -4.808528 -1.128518 -3.235013
H -4.943054 -2.623258 -2.259157
H -3.681668 -1.395882 -1.874680
H -4.274701 -2.286490 2.878625
H -5.390342 -3.305754 1.912917
H -5.986323 -1.790061 2.649409
H 3.925394 0.561116 -1.408357
H 3.596835 -0.907815 -0.466099
H 5.219227 -0.124199 1.319280
H 5.550462 1.341751 0.373415
H 6.094610 -1.550983 -0.585701
H 6.428200 -0.084571 -1.530262
H 7.716555 -0.769219 1.200929
H 8.051614 0.696098 0.255280
H 8.588545 -2.195593 -0.703752
H 8.927191 -0.730129 -1.645518
H 10.240304 -1.438296 1.081417
H 10.582537 0.036583 0.134821
H 11.032571 -1.566261 -0.515820


