%chk=000216925.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216925

0 1
O 0.523905 -1.385313 1.533849
O -1.550517 0.626545 -1.522324
O -4.652440 -0.279711 1.754913
N 3.105617 -0.227021 -0.649792
N 0.326152 -0.388240 -0.527276
N -2.898132 0.842724 -1.275881
C 6.336018 0.590308 -1.146195
C 5.973206 1.462839 0.061462
C 5.150074 0.301545 -2.075438
C 4.831375 0.888363 0.908585
C 4.203073 -0.771181 -1.518220
C 3.477554 0.955082 0.183935
C 2.523741 -1.320592 0.187194
C 1.056275 -1.038449 0.501939
C -1.027363 -0.084664 -0.412104
C -2.025180 -0.305563 0.507413
C -3.202833 0.299938 -0.079027
C -4.526073 0.341486 0.493101
C -5.738728 0.857039 0.095252
C -6.680902 0.556024 1.140592
C -5.991285 -0.123265 2.112617
H 7.135287 1.095278 -1.725521
H 6.780328 -0.362612 -0.797510
H 6.871719 1.589889 0.698116
H 5.706299 2.482244 -0.281438
H 4.594368 1.234706 -2.294170
H 5.534007 -0.046161 -3.055918
H 5.063733 -0.152468 1.202486
H 4.763958 1.455177 1.858270
H 3.682658 -1.273822 -2.367404
H 4.803773 -1.551775 -1.000624
H 2.664347 1.134440 0.921573
H 3.455523 1.832609 -0.504417
H 2.566822 -2.296880 -0.351097
H 3.054946 -1.481996 1.155119
H 0.822388 -0.039202 -1.362201
H -1.964660 -0.811114 1.456117
H -5.953197 1.384147 -0.817086
H -7.719853 0.824748 1.133463
H -6.222483 -0.555503 3.061148


%chk=000216925-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216925

0 1
O 0.457007 -1.874881 1.692554
O -1.195196 0.986598 -1.079321
O -4.794860 -0.489511 1.475620
N 3.101529 -0.301006 -0.357063
N 0.485224 -0.307050 -0.068127
N -2.647786 1.232302 -0.988271
C 6.121534 0.690099 -1.515572
C 5.984006 1.521282 -0.217702
C 4.789283 0.282731 -2.196723
C 5.049292 0.916153 0.858312
C 4.007099 -0.808899 -1.433987
C 3.559754 0.895051 0.416739
C 2.577982 -1.387139 0.505735
C 1.069317 -1.224253 0.801707
C -0.852944 0.034339 -0.108165
C -1.975661 -0.354266 0.605211
C -3.051499 0.409757 0.027145
C -4.450347 0.377743 0.411652
C -5.592358 1.029462 -0.040063
C -6.696646 0.560369 0.763393
C -6.179302 -0.354690 1.667281
H 6.732626 1.268843 -2.236405
H 6.693012 -0.236177 -1.297969
H 6.993949 1.669345 0.213575
H 5.602950 2.532271 -0.472379
H 4.143828 1.166191 -2.368003
H 5.026905 -0.123918 -3.198819
H 5.380413 -0.105288 1.137331
H 5.129534 1.530284 1.776894
H 3.372802 -1.376597 -2.142836
H 4.750087 -1.532595 -1.021706
H 2.899043 0.962604 1.301192
H 3.363525 1.804547 -0.184231
H 2.694699 -2.360553 -0.007668
H 3.101886 -1.478012 1.479964
H 1.194565 0.123363 -0.701133
H -2.025102 -1.072313 1.415982
H -5.624315 1.754034 -0.850755
H -7.738396 0.863242 0.680058
H -6.603940 -0.963861 2.460056


