%chk=000201613.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201613

0 1
O 0.354298 2.615680 -0.921510
O 0.243605 0.838507 -2.261449
N -3.656456 -0.010161 0.173304
C 0.180828 0.480936 0.200148
C -1.205405 -0.213032 0.140286
C -2.383837 0.771561 0.028398
C -4.026596 -0.671937 -1.122461
C -4.766740 0.876949 0.657728
C -5.287742 -1.529705 -0.928841
C -6.040465 0.043071 0.877278
C -6.455403 -0.682215 -0.408717
C 0.260040 1.434078 1.419320
C 1.342983 -0.515209 0.229856
C 0.272952 1.248940 -1.127966
C 2.710407 -0.075898 0.061361
C 0.253348 0.697389 2.752057
C 1.092988 -1.855781 0.427034
C 3.745532 -1.050742 0.032036
C 2.138159 -2.822141 0.422833
C 3.095285 1.297624 -0.070475
C 3.434633 -2.435345 0.216077
C 5.104799 -0.648574 -0.173020
C 4.404388 1.662612 -0.260307
C 5.428017 0.675353 -0.323059
H -1.231414 -0.920121 -0.715783
H -1.348605 -0.831608 1.052728
H -2.328366 1.344274 -0.922090
H -2.317063 1.519853 0.851253
H -3.177291 -1.321544 -1.428039
H -4.187113 0.057172 -1.945820
H -4.980499 1.716701 -0.037636
H -4.447556 1.323224 1.624490
H -5.070412 -2.344653 -0.209543
H -5.556237 -2.016799 -1.883415
H -6.855847 0.697019 1.234720
H -5.857207 -0.699882 1.679593
H -6.767016 0.050286 -1.176874
H -7.336342 -1.322293 -0.218278
H 1.173732 2.063047 1.338246
H -0.587298 2.150829 1.375998
H 0.331051 1.401051 3.589024
H 1.096146 -0.001619 2.833723
H -0.667537 0.118276 2.894382
H 0.081072 -2.230212 0.590397
H 1.879925 -3.868940 0.577776
H 2.330812 2.077893 0.006913
H 4.243462 -3.163822 0.191512
H 0.400949 3.124978 -1.773235
H 5.874632 -1.418479 -0.207423
H 4.680161 2.711251 -0.361806
H 6.457340 0.989960 -0.484823


%chk=000201613-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201613

0 1
O 0.159762 2.663382 -0.987305
O 0.146877 0.705590 -2.216175
N -3.686619 -0.002807 0.194717
C 0.199643 0.522150 0.262460
C -1.201525 -0.192206 0.300201
C -2.416845 0.761230 0.273584
C -3.994767 -0.462152 -1.185271
C -4.838363 0.730358 0.781075
C -5.219459 -1.399146 -1.197697
C -6.090931 -0.167832 0.839770
C -6.447272 -0.704328 -0.565653
C 0.346984 1.499686 1.482363
C 1.366018 -0.511246 0.253520
C 0.188684 1.257030 -1.095636
C 2.739384 -0.102599 -0.000922
C 0.198769 0.814147 2.857588
C 1.117794 -1.860079 0.540553
C 3.796715 -1.098920 0.062115
C 2.159996 -2.834365 0.601851
C 3.127504 1.244519 -0.325214
C 3.479927 -2.461689 0.369364
C 5.156479 -0.716973 -0.190062
C 4.459463 1.586495 -0.568960
C 5.490704 0.600655 -0.499905
H -1.255026 -0.884268 -0.559146
H -1.285371 -0.796986 1.218563
H -2.328216 1.494064 -0.567917
H -2.437754 1.354862 1.206619
H -3.113838 -0.986475 -1.596329
H -4.195457 0.416242 -1.856338
H -5.079829 1.652879 0.187105
H -4.559710 1.057841 1.800333
H -4.973113 -2.313369 -0.623916
H -5.437282 -1.704365 -2.239397
H -6.936603 0.406452 1.265268
H -5.884722 -1.017505 1.519218
H -6.763330 0.141128 -1.211831
H -7.302839 -1.403715 -0.508296
H 1.334757 1.989245 1.436401
H -0.397511 2.308997 1.381649
H 0.410571 1.540115 3.663566
H 0.905140 -0.027954 2.967701
H -0.822472 0.425502 3.023963
H 0.097151 -2.201928 0.723266
H 1.906683 -3.874956 0.831643
H 2.374243 2.032807 -0.392284
H 4.290227 -3.199059 0.412614
H 0.107310 3.042886 -1.907501
H 5.933081 -1.489616 -0.136791
H 4.716242 2.622619 -0.816295
H 6.531845 0.881457 -0.692328


