%chk=000189751.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189751

0 1
O 1.810009 1.973751 0.097806
O -2.557768 -0.867289 1.189456
O -1.420784 -1.087477 -0.802443
O 6.329449 -3.782976 -1.541460
O 7.300333 -2.033187 -0.723059
N -1.321847 0.865336 0.452955
N 1.274430 -0.035537 -0.901426
N -0.652215 7.256827 2.412549
N 6.312223 -2.640330 -1.107394
C -0.765932 3.133021 -0.396355
C -0.531593 1.620648 -0.542836
C -0.385622 3.713898 0.971418
C -0.767857 5.194923 1.062339
C 0.971419 1.246329 -0.383847
C -0.288655 5.809185 2.388567
C -1.749070 -0.424503 0.171974
C 2.556308 -0.646267 -0.921186
C 3.724054 0.015181 -0.487798
C 2.629213 -1.973029 -1.416597
C -3.144729 -2.206437 1.023777
C -4.399049 -2.105331 0.207537
C 4.948515 -0.637250 -0.550029
C 3.854749 -2.619414 -1.476788
C 5.016775 -1.952909 -1.043589
C -5.647375 -2.013432 0.839119
C -4.321583 -2.105714 -1.193528
C -6.812712 -1.934598 0.070897
C -5.488687 -2.024949 -1.956346
C -6.734795 -1.941925 -1.325428
H -1.832010 3.351014 -0.617463
H -0.182036 3.655516 -1.185806
H -0.858315 1.315352 -1.581838
H 0.711088 3.592330 1.128674
H -0.870397 3.148632 1.789131
H -1.861896 5.320576 0.955949
H -0.320172 5.764746 0.220947
H -0.699758 5.237960 3.248300
H 0.820910 5.735296 2.456465
H -1.612812 1.344449 1.305691
H 0.484153 -0.630150 -1.233274
H -1.659868 7.375175 2.437035
H -0.278896 7.701396 3.245448
H 3.668684 1.040495 -0.100548
H 1.728582 -2.489394 -1.749452
H -3.318635 -2.476917 2.083252
H -2.388934 -2.878172 0.574104
H 5.866243 -0.136847 -0.217449
H 3.931799 -3.644976 -1.857219
H -5.713301 -2.000515 1.926025
H -3.344468 -2.159074 -1.682627
H -7.782387 -1.866265 0.561738
H -5.427560 -2.027163 -3.043792
H -7.644119 -1.882007 -1.921877


%chk=000189751-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189751

0 1
O 1.970929 2.228417 -0.174453
O -2.526899 -0.782551 1.118334
O -1.258738 -1.020852 -0.857567
O 6.115565 -4.121733 -1.505876
O 7.311703 -2.276657 -0.891948
N -1.250427 0.955595 0.392391
N 1.329839 0.065773 -0.855395
N -0.664792 7.369307 2.550348
N 6.197203 -2.875842 -1.162498
C -0.690163 3.258404 -0.363453
C -0.441415 1.747262 -0.562509
C -0.470955 3.800588 1.069807
C -0.657641 5.333050 1.128276
C 1.080202 1.388161 -0.490561
C -0.471423 5.906322 2.548529
C -1.653297 -0.328195 0.138527
C 2.567855 -0.610108 -0.908789
C 3.816602 0.011987 -0.615399
C 2.535468 -1.986546 -1.284207
C -3.066395 -2.182399 0.931880
C -4.360428 -2.176117 0.150763
C 5.003211 -0.735796 -0.700394
C 3.718953 -2.731932 -1.369087
C 4.948511 -2.097118 -1.075019
C -5.604725 -2.094765 0.826092
C -4.344310 -2.255552 -1.266264
C -6.815755 -2.088018 0.098989
C -5.554541 -2.248588 -1.993822
C -6.792251 -2.165252 -1.313242
H -1.724582 3.484176 -0.690250
H -0.005939 3.795620 -1.045527
H -0.779277 1.459953 -1.579245
H 0.547754 3.536145 1.405683
H -1.187806 3.338606 1.784710
H -1.670809 5.598266 0.756181
H 0.067985 5.830493 0.457223
H -1.151327 5.357392 3.248783
H 0.562836 5.698262 2.883696
H -1.569603 1.402804 1.253397
H 0.480453 -0.495670 -1.078649
H -1.607350 7.666327 2.278788
H -0.341296 7.844275 3.397780
H 3.834749 1.064358 -0.329044
H 1.573484 -2.461997 -1.507069
H -3.208603 -2.522579 1.969128
H -2.283679 -2.776161 0.430303
H 5.973260 -0.281535 -0.481948
H 3.714519 -3.786609 -1.655219
H -5.623751 -2.036503 1.921414
H -3.381843 -2.311157 -1.787280
H -7.772593 -2.027550 0.629127
H -5.534289 -2.311984 -3.087371
H -7.731074 -2.163775 -1.878365


