%chk=000256854.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256854

0 1
O 2.664208 0.667535 0.936950
O -0.472700 -1.511135 -1.613132
N 0.637646 1.788355 0.609331
N 1.112318 -0.412977 -0.360289
N -1.215169 -0.448797 0.311848
C 1.544272 4.442810 -0.345683
C 1.035938 3.370811 -1.318128
C 2.138312 3.802967 0.914583
C 0.057466 2.409153 -0.624695
C 1.143460 2.830309 1.564649
C 1.564188 0.700128 0.416725
C 2.173019 -1.387131 -0.797693
C 2.454649 -2.425813 0.295546
C 3.480953 -3.458779 -0.187134
C -0.243892 -0.830845 -0.630400
C 3.780503 -4.495296 0.893144
C -2.620549 -0.704094 0.186588
C -3.456815 -0.138409 1.173205
C -3.164687 -1.485834 -0.845570
C -4.831410 -0.366819 1.114305
C -4.543879 -1.698410 -0.884203
C -5.380891 -1.143902 0.088884
H 2.306554 5.071786 -0.843899
H 0.717816 5.125981 -0.070327
H 1.892447 2.803538 -1.733417
H 0.538783 3.845095 -2.185320
H 2.432237 4.581930 1.641662
H 3.071351 3.255677 0.661618
H -0.861706 2.952090 -0.306401
H -0.270685 1.621666 -1.335018
H 1.617934 2.319845 2.432989
H 0.249541 3.371941 1.943462
H 1.823981 -1.874876 -1.738248
H 3.094889 -0.811030 -1.037018
H 2.828880 -1.913162 1.206670
H 1.518106 -2.934036 0.595368
H 3.106752 -3.967196 -1.097989
H 4.419086 -2.948819 -0.483643
H 4.516616 -5.228469 0.544761
H 2.879579 -5.047616 1.184387
H 4.185374 -4.028481 1.798804
H -0.936337 0.136043 1.111710
H -3.042767 0.466957 1.975415
H -2.519034 -1.928256 -1.611623
H -5.480814 0.065513 1.875281
H -4.968025 -2.305900 -1.684272
H -6.453497 -1.316649 0.050014


%chk=000256854-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256854

0 1
O 2.540401 0.552243 1.337165
O -0.367652 -1.923330 -1.301776
N 0.675953 1.758077 0.568974
N 1.138170 -0.463704 -0.252139
N -1.201537 -0.336050 0.221940
C 1.408464 4.468269 -0.331040
C 1.081188 3.339053 -1.336484
C 1.953637 3.880087 0.992098
C 0.125833 2.291508 -0.717249
C 0.978220 2.826868 1.564916
C 1.514351 0.622444 0.597505
C 2.246925 -1.363985 -0.695226
C 2.491011 -2.559100 0.249544
C 3.634339 -3.459388 -0.269584
C -0.190828 -0.958707 -0.501022
C 3.890643 -4.676100 0.645639
C -2.598821 -0.595439 0.166693
C -3.433358 0.219050 0.982080
C -3.183448 -1.605753 -0.643889
C -4.829804 0.031811 0.985194
C -4.584546 -1.778797 -0.629379
C -5.417323 -0.969509 0.176756
H 2.140253 5.171370 -0.770615
H 0.487738 5.053041 -0.123819
H 2.016423 2.833625 -1.649268
H 0.611730 3.752236 -2.249909
H 2.105778 4.680110 1.741432
H 2.933822 3.395961 0.822676
H -0.856166 2.757638 -0.501303
H -0.043813 1.461687 -1.419010
H 1.404060 2.348198 2.460675
H 0.016512 3.307087 1.835724
H 1.980114 -1.727757 -1.702501
H 3.158047 -0.744966 -0.761846
H 2.738569 -2.176319 1.257134
H 1.561406 -3.155070 0.329488
H 3.389170 -3.811763 -1.292489
H 4.563983 -2.860151 -0.356319
H 4.713181 -5.306417 0.260179
H 2.986652 -5.308961 0.723203
H 4.161967 -4.351908 1.667845
H -0.904532 0.448612 0.818110
H -2.984242 0.993340 1.618090
H -2.540891 -2.232157 -1.264626
H -5.457864 0.666487 1.620365
H -5.027191 -2.559651 -1.258300
H -6.502522 -1.116419 0.178168


