%chk=000206108.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206108

0 1
O 5.586398 -0.944605 -0.571353
N 3.041475 0.125052 0.175283
N -0.952139 0.793773 0.066741
C 1.967274 0.528445 1.142310
C 4.306755 0.892586 0.421487
C 3.317510 -1.346797 0.267111
C 1.253908 1.789197 0.621289
C 5.345517 0.476518 -0.631733
C 4.382583 -1.712581 -0.778774
C 0.260587 1.459178 -0.504834
C -1.946262 0.457325 -1.002011
C -3.273909 0.093342 -0.382957
C -3.338865 -0.888565 0.617722
C -4.450142 0.721383 -0.816793
C -4.569842 -1.237187 1.177640
C -5.680536 0.365940 -0.255695
C -5.743112 -0.612070 0.741254
H 2.351860 0.706498 2.168112
H 1.217778 -0.293387 1.225215
H 4.720618 0.731172 1.440197
H 4.082604 1.975837 0.324180
H 2.373642 -1.891119 0.047435
H 3.657115 -1.663446 1.276271
H 1.995152 2.519222 0.240189
H 0.736930 2.287196 1.463540
H 5.021011 0.741455 -1.653351
H 6.344915 0.895302 -0.423332
H 4.741329 -2.750022 -0.665623
H 4.020939 -1.539103 -1.807576
H 0.742289 0.751747 -1.220459
H 0.021798 2.381203 -1.076714
H -1.391899 1.410239 0.759911
H -1.547029 -0.423588 -1.560840
H -2.070192 1.268537 -1.753748
H -2.420687 -1.369833 0.957122
H -4.411613 1.484814 -1.590705
H -4.616077 -1.998199 1.954646
H -6.591812 0.853807 -0.596799
H -6.701272 -0.886667 1.176743


%chk=000206108-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206108

0 1
O 5.043207 -1.421221 -0.750821
N 2.806545 0.121318 0.292424
N -0.844261 1.339923 0.136236
C 1.948445 0.778105 1.311885
C 4.176454 0.690832 0.229789
C 2.877529 -1.352714 0.466559
C 1.406343 2.144444 0.838027
C 4.969113 0.039870 -0.915747
C 3.681417 -1.979147 -0.684465
C 0.400762 1.997187 -0.322100
C -1.787298 0.977247 -0.943473
C -3.004191 0.222380 -0.417093
C -2.878730 -0.700517 0.652954
C -4.277947 0.411362 -1.009437
C -4.001914 -1.422319 1.114725
C -5.402500 -0.314305 -0.553488
C -5.268101 -1.234576 0.511611
H 2.491066 0.899271 2.283398
H 1.076179 0.123454 1.494038
H 4.725157 0.530223 1.193500
H 4.115877 1.780842 0.053622
H 1.849812 -1.762247 0.463061
H 3.358836 -1.632146 1.438398
H 2.236472 2.802777 0.515705
H 0.919725 2.654047 1.695661
H 4.483983 0.283333 -1.886067
H 6.015413 0.388041 -0.925767
H 3.814868 -3.063515 -0.534938
H 3.155450 -1.795826 -1.646618
H 0.862759 1.355564 -1.096885
H 0.212392 2.997504 -0.785837
H -1.314222 1.888867 0.871041
H -1.230430 0.331776 -1.654608
H -2.137342 1.858287 -1.538260
H -1.894163 -0.832493 1.114412
H -4.391028 1.130394 -1.830934
H -3.891160 -2.131571 1.943379
H -6.380604 -0.157094 -1.022603
H -6.139313 -1.794757 0.869820


