%chk=000216971.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216971

0 1
I 1.951599 -1.694928 -2.835811
I 4.045611 3.331946 -0.482165
O -1.611470 -2.852605 0.067770
O -4.796662 2.276495 0.480084
O -2.614621 1.988578 0.865695
N 0.419040 -1.838416 0.142755
N 2.111861 2.296397 2.040387
C -1.558062 -0.514499 -0.558075
C -3.081799 -0.612171 -0.671277
C -0.971252 -1.828718 -0.095735
C 1.105862 -3.100184 0.556101
C 1.245314 -0.662404 0.001235
C -3.729050 0.747240 -0.953309
C 1.272957 0.256444 1.050163
C 1.401876 -3.107309 2.052560
C 1.999884 -0.425978 -1.165014
C 2.069068 1.428549 0.959744
C 2.798171 0.714338 -1.256162
C 2.833533 1.637009 -0.214611
C -3.582301 1.687681 0.204537
H -1.108863 -0.225442 -1.532780
H -1.283721 0.307239 0.148005
H -3.501052 -1.057759 0.256842
H -3.353329 -1.326460 -1.477592
H 0.437457 -3.955350 0.287670
H 2.042794 -3.211182 -0.035219
H -3.275668 1.218096 -1.854519
H -4.806949 0.610702 -1.201776
H 0.686362 0.065647 1.948673
H 2.055134 -2.277358 2.346760
H 0.480664 -3.026915 2.644152
H 1.897819 -4.039937 2.346095
H 3.395820 0.889937 -2.160643
H 1.407173 2.231182 2.757327
H 2.556610 3.201234 1.939223
H -4.755613 2.919102 1.237110


%chk=000216971-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216971

0 1
I 1.693257 -1.479722 -2.980251
I 3.906412 3.574843 -0.325780
O -1.546471 -2.981698 0.164771
O -4.324558 2.883497 -0.557154
O -3.035733 1.863940 1.078345
N 0.477386 -1.841600 0.107096
N 2.184467 2.244363 2.195757
C -1.623585 -0.589732 -0.411570
C -3.156734 -0.717296 -0.323338
C -0.920050 -1.893175 -0.016907
C 1.218225 -3.089789 0.443998
C 1.232765 -0.622404 -0.015503
C -3.889592 0.533123 -0.844001
C 1.358444 0.223143 1.106782
C 1.459503 -3.255031 1.958105
C 1.881515 -0.257186 -1.226616
C 2.102840 1.438889 1.071841
C 2.639692 0.932221 -1.291853
C 2.746949 1.764891 -0.161050
C -3.676560 1.771849 0.006968
H -1.318211 -0.333836 -1.447823
H -1.277889 0.240860 0.228487
H -3.445221 -0.911105 0.725377
H -3.482311 -1.598817 -0.902949
H 0.606531 -3.928086 0.069945
H 2.174807 -3.077171 -0.109138
H -3.587432 0.779348 -1.880920
H -4.982141 0.356234 -0.889002
H 0.851687 -0.068169 2.033556
H 2.064679 -2.424990 2.365701
H 0.497266 -3.296273 2.497173
H 2.002859 -4.198269 2.151303
H 3.137718 1.212241 -2.222764
H 1.678211 2.002382 3.042559
H 2.711891 3.114696 2.172227
H -4.176420 3.678027 0.024829


