%chk=000254599.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254599

0 1
O 2.386596 -2.563043 -1.033571
O 2.386960 2.562671 1.033577
N 0.026273 -2.855540 -0.744783
N 0.026691 2.855544 0.744700
C 1.081143 -0.666997 -0.258711
C 1.081238 0.666831 0.258664
C -0.212326 -1.395703 -0.499775
C -0.212127 1.395743 0.499670
C 2.290068 -1.280085 -0.520621
C 2.290250 1.279726 0.520627
C 3.562474 -0.655493 -0.268185
C 3.562567 0.654931 0.268246
C 1.180521 -3.071713 -1.659003
C 1.180942 3.071532 1.658964
C -1.202274 -3.542412 -1.259947
C -1.201769 3.542615 1.259818
C 4.804119 -1.304236 -0.532428
C 4.804304 1.303476 0.532542
C -2.304448 -3.498386 -0.226917
C -2.303922 3.498750 0.226756
C 5.989705 -0.659320 -0.268821
C 5.989799 0.658371 0.268987
C -2.045142 -3.874110 1.100125
C -2.044532 3.874477 -1.100270
C -3.598606 -3.110340 -0.601234
C -3.598139 3.110854 0.601026
C -3.075138 -3.863067 2.042863
C -3.074503 3.863584 -2.043037
C -4.626775 -3.104939 0.346593
C -4.626282 3.105603 -0.346831
C -4.368030 -3.480834 1.667851
C -4.367454 3.481500 -1.668072
H -0.851581 -1.339693 0.416540
H -0.775642 -0.899095 -1.322698
H -0.851344 1.339838 -0.416678
H -0.775562 0.899218 1.322561
H 1.413185 -4.153506 -1.744204
H 1.098279 -2.582015 -2.650063
H 1.413776 4.153288 1.744175
H 1.098585 2.581847 2.650021
H -0.942222 -4.612750 -1.447362
H -1.553538 -3.126958 -2.231194
H -0.941554 4.612915 1.447227
H -1.553127 3.127232 2.231061
H 4.779439 -2.315297 -0.942579
H 4.779768 2.314541 0.942692
H 6.943249 -1.145912 -0.466690
H 6.943411 1.144811 0.466898
H -1.031687 -4.161155 1.388639
H -1.031035 4.161404 -1.388749
H -3.810257 -2.813629 -1.626094
H -3.809856 2.814143 1.625872
H -2.870731 -4.154157 3.072019
H -2.870032 4.154676 -3.072180
H -5.631443 -2.806230 0.052653
H -5.630995 2.807010 -0.052927
H -5.169683 -3.476782 2.403232
H -5.169086 3.477566 -2.403476


%chk=000254599-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254599

0 1
O 2.180382 -2.507512 -1.299320
O 2.180716 2.507154 1.299300
N -0.193176 -2.750364 -0.997080
N -0.192786 2.750400 0.996929
C 0.894070 -0.646609 -0.314479
C 0.894159 0.646469 0.314373
C -0.427659 -1.347073 -0.608845
C -0.427471 1.347150 0.608665
C 2.112417 -1.257010 -0.641789
C 2.112586 1.256664 0.641763
C 3.374478 -0.641846 -0.329973
C 3.374564 0.641287 0.330033
C 0.903543 -2.873699 -1.943037
C 0.903903 2.873541 1.942950
C -1.402743 -3.543022 -1.272911
C -1.402249 3.543220 1.272760
C 4.623038 -1.261314 -0.654361
C 4.623207 1.260541 0.654510
C -2.232460 -3.818258 -0.017862
C -2.231902 3.818614 0.017705
C 5.829992 -0.634559 -0.330194
C 5.830077 0.633579 0.330432
C -1.597568 -4.066925 1.224700
C -1.596950 4.067290 -1.224826
C -3.645335 -3.875903 -0.092364
C -3.644774 3.876400 0.092171
C -2.363716 -4.374631 2.370395
C -2.363035 4.375140 -2.370524
C -4.414577 -4.188651 1.052396
C -4.413951 4.189293 -1.052593
C -3.775202 -4.440063 2.288006
C -3.774517 4.440711 -2.288170
H -1.067836 -1.343160 0.293407
H -0.995363 -0.789693 -1.401239
H -1.067595 1.343350 -0.293625
H -0.995315 0.789856 1.401019
H 1.018671 -3.919726 -2.266081
H 0.796151 -2.203888 -2.833147
H 1.019183 3.919544 2.266015
H 0.796347 2.203736 2.833044
H -1.070637 -4.509657 -1.703543
H -2.060437 -3.062031 -2.039756
H -1.070014 4.509795 1.703429
H -2.060026 3.062296 2.039576
H 4.607823 -2.231659 -1.158063
H 4.608123 2.230890 1.158210
H 6.781863 -1.115579 -0.581262
H 6.782013 1.114435 0.581570
H -0.504501 -4.003358 1.275050
H -0.503889 4.003618 -1.275149
H -4.147067 -3.674197 -1.047665
H -4.146552 3.674690 1.047446
H -1.861987 -4.564823 3.326179
H -1.861260 4.565338 -3.326283
H -5.507498 -4.230340 0.981466
H -5.506870 4.231089 -0.981690
H -4.369311 -4.679996 3.177110
H -4.368577 4.680756 -3.177277


