%chk=000198730.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198730

0 1
O 4.098159 -0.015634 -1.144403
O 0.155199 0.022696 1.708712
N 0.583533 -0.003539 -0.555086
N 2.778183 -0.018525 -1.579026
C -1.715263 0.008526 0.184055
C -2.390847 1.232561 0.011101
C -2.395466 -1.216958 0.042197
C -0.277355 0.010680 0.577495
C -3.751554 1.219739 -0.328489
C -3.756124 -1.207642 -0.297701
C -4.423801 0.005175 -0.481384
C -1.664796 2.523130 0.190031
C -1.674175 -2.505268 0.253662
C 1.988998 -0.004805 -0.474102
C 2.809496 0.007539 0.723081
C 4.099755 0.000333 0.264473
C 5.431347 0.005222 0.877021
H -4.285948 2.156926 -0.468188
H -4.294038 -2.146056 -0.413622
H -5.482674 0.003827 -0.744694
H -2.316473 3.400486 0.083286
H -1.206962 2.588298 1.191847
H -0.850188 2.638971 -0.540749
H -1.214311 -2.545868 1.255855
H -2.329582 -3.382494 0.171536
H -0.861717 -2.643567 -0.475608
H 0.181903 -0.013784 -1.498900
H 2.426518 0.019537 1.730313
H 6.018635 0.886546 0.566079
H 5.373730 0.017760 1.977489
H 6.015918 -0.884711 0.586118


%chk=000198730-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198730

0 1
O 4.105684 -0.718984 -1.012564
O 0.150562 0.733923 1.607487
N 0.624584 -0.218801 -0.473736
N 2.705660 -0.794015 -1.435872
C -1.717326 0.134801 0.137348
C -2.502323 1.329102 0.108812
C -2.305249 -1.142494 -0.111392
C -0.257432 0.246620 0.511939
C -3.876595 1.225953 -0.212217
C -3.688867 -1.201473 -0.415279
C -4.468629 -0.028661 -0.475208
C -1.893112 2.686966 0.412438
C -1.511687 -2.441097 -0.031956
C 2.021184 -0.281600 -0.374747
C 2.877947 0.122082 0.711351
C 4.160215 -0.165760 0.278526
C 5.519551 -0.013796 0.879244
H -4.484728 2.136929 -0.249080
H -4.153134 -2.177966 -0.596273
H -5.535847 -0.091742 -0.715289
H -2.617841 3.494441 0.214301
H -1.576287 2.746710 1.468557
H -0.990032 2.879231 -0.196234
H -0.737253 -2.412046 0.753601
H -2.185400 -3.286701 0.188389
H -1.000232 -2.677831 -0.985518
H 0.225041 -0.557871 -1.353283
H 2.555807 0.556399 1.651027
H 6.158782 0.637701 0.256728
H 5.440514 0.430568 1.883911
H 6.026544 -0.991489 0.967388


