%chk=000192296.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192296

0 1
O -5.086929 -0.818422 0.729661
O -4.132921 -0.404787 -1.314075
N 1.365003 -0.190847 -0.125494
N -2.819185 -0.978262 0.523397
C 2.712079 0.110545 -0.720539
C -1.537870 -0.636869 -0.168822
C 0.412484 0.952945 -0.338161
C 0.786845 -1.450606 -0.707965
C -0.918703 0.665462 0.373341
C -0.536061 -1.795094 -0.006830
C 3.722859 -1.046820 -0.442015
C 3.345149 1.379943 -0.067378
C 5.007270 -0.356126 -0.086830
C 4.791616 1.029443 0.127071
C 6.273277 -0.904844 0.048779
C 5.842339 1.863913 0.476208
C -2.823227 -1.147587 1.995060
C -4.011901 -0.678307 -0.132882
C 7.338932 -0.056168 0.401940
C 7.126992 1.305540 0.612153
C -6.421491 -0.654123 0.150950
C -6.837682 0.820835 0.295215
C -8.316139 0.912004 0.686801
C -6.560981 1.596487 -0.994108
H 2.648083 0.271200 -1.825878
H -1.781286 -0.506631 -1.262260
H 0.859521 1.870448 0.102039
H 0.231943 1.165901 -1.414475
H 0.630451 -1.382105 -1.806685
H 1.505670 -2.280780 -0.535537
H -0.739921 0.584024 1.463856
H -1.612630 1.514001 0.231665
H -0.956039 -2.729232 -0.424513
H -0.344708 -1.993092 1.067438
H 3.384624 -1.672858 0.409580
H 3.828786 -1.712813 -1.312521
H 2.875638 1.597194 0.914405
H 3.208464 2.272768 -0.697239
H 6.446978 -1.964997 -0.111691
H 5.685778 2.925703 0.643306
H -2.903652 -0.184450 2.525270
H -1.898963 -1.655558 2.317613
H -3.685737 -1.773749 2.293682
H 8.338060 -0.473415 0.510900
H 7.961003 1.949172 0.884884
H -6.419776 -1.008009 -0.894224
H -7.008123 -1.338691 0.788452
H -6.219653 1.263659 1.119222
H -8.965852 0.441414 -0.059405
H -8.511172 0.432973 1.652164
H -8.633218 1.958183 0.772853
H -5.538382 1.406320 -1.358589
H -7.240347 1.306042 -1.802649
H -6.667495 2.674921 -0.845637


%chk=000192296-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000192296

0 1
O -5.147236 -0.692954 0.700229
O -3.976515 -0.488221 -1.339187
N 1.418035 -0.108063 0.080816
N -2.855619 -0.511019 0.731092
C 2.778559 0.072007 -0.491589
C -1.530840 -0.323248 0.082269
C 0.561538 1.091549 -0.126214
C 0.738570 -1.318675 -0.457549
C -0.797612 0.940456 0.587058
C -0.614420 -1.558408 0.242554
C 3.725333 -1.142213 -0.219745
C 3.540635 1.295689 0.113907
C 5.109062 -0.510595 -0.191455
C 5.002636 0.891742 0.000468
C 6.372605 -1.123380 -0.302560
C 6.158249 1.692966 0.083320
C -2.953623 -0.586945 2.200364
C -3.974865 -0.554854 -0.076812
C 7.537345 -0.319256 -0.221696
C 7.431035 1.079212 -0.029881
C -6.429381 -0.772277 -0.047620
C -7.317984 0.442146 0.280918
C -8.702349 0.243823 -0.382756
C -6.657635 1.764231 -0.169072
H 2.725295 0.220261 -1.603316
H -1.751664 -0.195282 -0.993857
H 1.084829 1.976711 0.273405
H 0.384699 1.274317 -1.220025
H 0.568964 -1.224282 -1.563553
H 1.390765 -2.194325 -0.299536
H -0.617176 0.870938 1.676884
H -1.416697 1.837598 0.396736
H -1.106897 -2.447102 -0.194152
H -0.423366 -1.762381 1.313811
H 3.474321 -1.577850 0.769689
H 3.635520 -1.943457 -0.974577
H 3.248314 1.409029 1.178603
H 3.317638 2.247141 -0.400752
H 6.459600 -2.205857 -0.454141
H 6.079642 2.776974 0.228487
H -3.199762 0.394194 2.649079
H -1.990014 -0.929896 2.611646
H -3.739433 -1.300440 2.490476
H 8.527098 -0.781247 -0.312852
H 8.339130 1.690373 0.026320
H -6.203595 -0.821518 -1.128891
H -6.906222 -1.712852 0.282474
H -7.455768 0.472744 1.381227
H -8.609402 0.204316 -1.485034
H -9.186634 -0.692441 -0.046456
H -9.376338 1.082917 -0.132743
H -5.684941 1.913570 0.332434
H -6.479679 1.762243 -1.260982
H -7.303953 2.627684 0.074240


