%chk=000270072.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270072

0 1
O -2.099526 0.818651 -2.383223
O -1.895195 -1.097093 0.282359
O -6.263209 -1.509266 -0.177439
O 0.981836 2.702809 0.454403
O -6.220148 0.758083 -0.134001
N -3.503822 0.457935 0.755500
N 0.072228 0.694249 -0.124653
N 2.687438 -0.350639 -0.252452
N 4.870285 1.263248 0.611866
C -1.304642 1.229077 -0.082495
C -4.523796 -0.556229 1.099153
C -2.241674 0.070859 0.312968
C -1.712070 1.824957 -1.452894
C -4.954678 -0.439352 2.558256
C 1.141331 1.520136 0.185560
C -5.745956 -0.299828 0.200997
C 2.518213 0.900435 0.162922
C 3.980111 -0.855192 -0.249953
C 5.078021 -0.045121 0.184710
C 3.628181 1.725185 0.601838
C 4.219319 -2.198897 -0.684847
C 6.400932 -0.590076 0.177544
C 5.499908 -2.689007 -0.678431
C 6.595822 -1.880389 -0.245394
C -7.432744 -1.484568 -1.042476
H -1.345462 2.057306 0.686685
H -4.108138 -1.589564 0.894157
H -0.888903 2.435194 -1.872676
H -2.625149 2.446940 -1.366535
H -3.819183 1.426659 0.735769
H 0.179144 -0.315735 -0.293348
H -4.096929 -0.581428 3.231513
H -5.698290 -1.206664 2.814164
H -5.392850 0.539584 2.793140
H -1.345459 0.221971 -2.585516
H 3.437367 2.759794 0.931729
H 3.367532 -2.799634 -1.010181
H 7.224609 0.044212 0.512635
H 5.705415 -3.709632 -1.004858
H 7.597148 -2.314427 -0.258271
H -7.177440 -0.987902 -1.984322
H -8.252873 -0.965478 -0.537698
H -7.643200 -2.549961 -1.185104


%chk=000270072-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270072

0 1
O -1.597220 0.995438 -2.679969
O -1.593948 -1.140612 0.091277
O -6.737636 -1.324464 0.098135
O 1.003266 3.018061 0.018139
O -6.061863 0.902460 -0.003605
N -3.454548 0.238184 0.269507
N 0.129808 0.859816 -0.208624
N 2.609108 -0.227273 -0.027959
N 4.934559 1.447622 0.258125
C -1.271428 1.281696 -0.214579
C -4.402252 -0.872729 0.443653
C -2.118437 0.018738 0.063522
C -1.654027 1.945799 -1.570796
C -4.331929 -1.500657 1.861906
C 1.160013 1.754607 -0.053368
C -5.796248 -0.315065 0.151328
C 2.527578 1.118963 0.029694
C 3.874897 -0.785421 0.058709
C 5.047228 0.059618 0.202501
C 3.690684 1.954541 0.172850
C 4.027578 -2.205299 0.006649
C 6.338951 -0.542568 0.288495
C 5.303867 -2.767163 0.093595
C 6.462209 -1.934027 0.234485
C -8.138655 -0.896685 -0.157351
H -1.434779 2.039064 0.579832
H -4.167738 -1.662385 -0.294964
H -0.981109 2.810514 -1.730508
H -2.697282 2.303296 -1.549332
H -3.868052 1.173777 0.189603
H 0.321793 -0.153399 -0.159021
H -3.308555 -1.872496 2.030973
H -5.038159 -2.344062 1.939539
H -4.576572 -0.752493 2.635961
H -0.687991 0.600008 -2.704605
H 3.566655 3.040236 0.215187
H 3.127663 -2.818835 -0.099925
H 7.206272 0.115849 0.396218
H 5.426107 -3.854810 0.054540
H 7.452137 -2.398022 0.300601
H -8.205881 -0.395148 -1.136692
H -8.473230 -0.204749 0.632986
H -8.719329 -1.828722 -0.145607


