%chk=000259589.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259589

0 1
O 2.285340 -2.822429 0.492327
O 3.209720 -1.336005 1.896897
O -1.450617 3.212540 0.740487
O 0.642267 2.714196 0.575929
O -4.431501 -2.016663 -0.548555
O -4.919498 0.026800 -0.026802
N 1.406086 0.310819 -0.033077
N -0.554098 2.418555 0.527247
N -4.126789 -0.870083 -0.260534
C 3.787157 0.080426 -0.796659
C 2.468200 -0.648845 -0.388941
C 4.254154 1.074335 0.264156
C 3.601936 0.757597 -2.154425
C 0.070324 0.028353 -0.081873
C 2.725370 -1.560447 0.820588
C -0.907744 1.047544 0.191170
C -0.401490 -1.290828 -0.400866
C -2.281786 0.736287 0.131221
C -1.741166 -1.572037 -0.456818
C -2.697083 -0.548964 -0.192357
H 4.568980 -0.718762 -0.901580
H 2.136099 -1.294616 -1.255376
H 1.732919 1.261909 0.258830
H 4.312704 0.613937 1.263420
H 3.598113 1.951172 0.347213
H 5.255765 1.458079 0.031485
H 2.830128 1.537492 -2.130548
H 3.327803 0.046263 -2.941489
H 4.530932 1.248730 -2.475297
H 0.325340 -2.089464 -0.580843
H -3.026935 1.526503 0.342369
H -2.105509 -2.580165 -0.699829
H 2.413878 -3.488329 1.223432


%chk=000259589-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259589

0 1
O 3.315115 -2.760318 0.373935
O 2.209511 -1.438964 1.939194
O -1.487344 3.321806 0.643475
O 0.704332 2.760912 0.408169
O -4.583495 -2.026936 -0.388917
O -5.039616 0.154912 0.117874
N 1.365526 0.299407 -0.184663
N -0.572384 2.449016 0.405934
N -4.218923 -0.810554 -0.135147
C 3.774192 0.027466 -0.779002
C 2.416403 -0.682237 -0.434836
C 4.272529 0.951143 0.359197
C 3.657288 0.789487 -2.119728
C 0.024601 0.033899 -0.156759
C 2.599612 -1.622576 0.771307
C -0.957823 1.065375 0.119675
C -0.486863 -1.285825 -0.416173
C -2.340158 0.786050 0.128880
C -1.850812 -1.560396 -0.412031
C -2.776461 -0.516273 -0.139323
H 4.504009 -0.794575 -0.906643
H 2.153872 -1.316355 -1.304152
H 1.614563 1.271392 0.065408
H 4.316653 0.431766 1.333131
H 3.635332 1.847010 0.481586
H 5.288730 1.312224 0.122071
H 2.920164 1.610332 -2.057611
H 3.353948 0.118284 -2.944320
H 4.632031 1.235146 -2.386791
H 0.214091 -2.100214 -0.614312
H -3.055679 1.584113 0.342598
H -2.231211 -2.566075 -0.609253
H 3.467271 -3.354540 1.158130


