%chk=000215717.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215717

0 1
O 2.417040 -3.964562 0.012122
O 2.872062 -1.256759 -0.302963
O -6.845960 2.063646 -0.111534
O 6.193541 4.076806 0.497197
N -0.741079 -2.082376 0.068302
N -3.501626 -1.282888 0.356494
C -1.305632 -0.956068 -0.744495
C -1.812969 -3.093148 0.349535
C -2.443517 -0.276810 0.044815
C -2.948496 -2.421557 1.148004
C 0.433644 -2.712884 -0.607957
C 1.485977 -2.992021 0.489528
C -4.818672 -0.841970 0.612052
C 2.223588 -1.715211 0.926354
C -5.238804 0.435207 0.191167
C -5.767221 -1.720927 1.204019
C -6.585912 0.792407 0.352907
C -7.091335 -1.324615 1.347125
C -7.532406 -0.063747 0.929802
C 3.635484 -0.119852 -0.251383
C 4.221071 0.201500 -1.495979
C 3.837454 0.672602 0.886946
C 5.241485 2.148120 -0.458346
C 5.019412 1.334186 -1.584218
C 4.643036 1.804965 0.766995
C -8.200700 2.562609 -0.002038
C 6.086911 3.376982 -0.489895
C 6.797409 3.703838 -1.789426
C 7.655445 4.956904 -1.667183
H -1.683528 -1.285906 -1.737109
H -0.496657 -0.214720 -0.924522
H -1.373166 -3.912879 0.957265
H -2.226727 -3.552913 -0.575281
H -2.876346 0.545066 -0.571573
H -2.041728 0.182995 0.975845
H -2.567979 -2.074439 2.135214
H -3.751483 -3.168949 1.344690
H 0.199169 -3.663165 -1.134056
H 0.872192 -2.040346 -1.377681
H 1.032702 -3.495277 1.377305
H 3.004174 -1.924162 1.676537
H 1.520673 -0.937962 1.275768
H -4.558423 1.146188 -0.268600
H -5.463296 -2.711275 1.530378
H 3.004221 -3.574263 -0.674897
H -7.808716 -2.012344 1.798739
H -8.566907 0.222061 1.053891
H 4.039150 -0.438043 -2.355628
H 3.386426 0.427420 1.842731
H 5.472842 1.585251 -2.544747
H 4.819051 2.447274 1.638830
H -8.882456 1.939791 -0.588248
H -8.500614 2.617718 1.048315
H -8.108035 3.565029 -0.438987
H 6.047186 3.837831 -2.595999
H 7.427962 2.842949 -2.093624
H 8.427541 4.837673 -0.894799
H 7.052181 5.824502 -1.365442
H 8.152362 5.198320 -2.611861


%chk=000215717-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215717

0 1
O 2.575297 -4.182827 0.033475
O 2.909115 -1.440034 -0.346783
O -6.526093 2.337858 -0.030792
O 5.804700 4.253355 0.636115
N -0.715388 -2.312425 -0.132198
N -3.436071 -1.386923 0.236810
C -1.390728 -1.496335 -1.169678
C -1.715697 -3.155030 0.567224
C -2.466620 -0.591359 -0.540935
C -2.785581 -2.272823 1.230438
C 0.449618 -3.080561 -0.631990
C 1.538004 -3.234187 0.460709
C -4.712312 -0.836535 0.526847
C 2.156538 -1.887335 0.850840
C -5.048359 0.492131 0.151458
C -5.716712 -1.624758 1.175914
C -6.341991 1.009268 0.397225
C -6.990790 -1.086964 1.421190
C -7.334985 0.232024 1.037959
C 3.596939 -0.225076 -0.293788
C 4.309250 0.127304 -1.468803
C 3.609030 0.635359 0.835446
C 5.056363 2.210329 -0.392861
C 5.029105 1.331980 -1.513928
C 4.335631 1.837793 0.773192
C -7.830074 2.951508 0.222475
C 5.810967 3.506608 -0.388648
C 6.588487 3.909356 -1.648753
C 7.321846 5.253391 -1.503781
H -1.875248 -2.139950 -1.946125
H -0.638379 -0.859788 -1.670183
H -1.210415 -3.754868 1.346257
H -2.211930 -3.862705 -0.143515
H -2.999924 -0.073724 -1.356749
H -1.971246 0.180001 0.094512
H -2.302659 -1.664608 2.030001
H -3.537803 -2.918467 1.708430
H 0.173621 -4.100686 -0.984424
H 0.891880 -2.542504 -1.491036
H 1.097303 -3.689186 1.365658
H 2.859031 -2.005543 1.697477
H 1.355859 -1.163619 1.093814
H -4.323943 1.167474 -0.309593
H -5.516203 -2.663102 1.454701
H 3.153463 -3.709749 -0.620661
H -7.746149 -1.713378 1.909963
H -8.337408 0.619976 1.235846
H 4.282348 -0.553736 -2.324939
H 3.063106 0.377301 1.747112
H 5.571898 1.585676 -2.430046
H 4.363328 2.519965 1.629677
H -8.640383 2.412080 -0.306164
H -8.056826 2.986426 1.306205
H -7.748306 3.975234 -0.172133
H 5.878977 3.945471 -2.501202
H 7.307191 3.099915 -1.892406
H 8.046562 5.218591 -0.672626
H 6.611511 6.066609 -1.277504
H 7.862258 5.503605 -2.434327


