%chk=000218968.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218968

0 1
O -0.058629 0.607079 2.889232
O 1.454171 0.101897 0.662550
N -2.484775 0.312907 0.227262
C -2.518417 0.132328 -1.266757
C -3.817560 0.812264 0.714119
C -4.035809 0.037135 -1.618017
C -4.810556 0.181108 -0.302034
C -1.285692 0.949857 0.819054
C -1.868930 1.288530 -2.051429
C -1.795033 -1.185590 -1.594951
C -3.944137 2.349568 0.695049
C -4.057500 0.290529 2.137833
C -0.618914 -0.079399 1.764601
C 0.474532 -0.902844 1.063249
C 2.618337 -0.332728 0.062174
C 2.930007 -1.660903 -0.240784
C 3.500436 0.725563 -0.241399
C 4.155501 -1.933300 -0.861271
C 4.709296 0.428712 -0.857520
C 5.049346 -0.902694 -1.173610
C 6.357518 -1.194374 -1.834785
H -4.272349 -0.917972 -2.113715
H -4.327401 0.825853 -2.331084
H -5.715412 0.794887 -0.422310
H -5.150543 -0.806646 0.055845
H -0.554928 1.283435 0.048295
H -1.537845 1.856740 1.416040
H -0.800101 1.380903 -1.819699
H -1.950824 1.130917 -3.130823
H -2.339818 2.248588 -1.816248
H -0.754786 -1.170094 -1.235830
H -2.289275 -2.032406 -1.104019
H -1.776107 -1.376388 -2.670793
H -4.926869 2.671504 1.050835
H -3.195181 2.821952 1.341309
H -3.808557 2.747852 -0.315578
H -5.071284 0.518262 2.478606
H -3.918694 -0.795883 2.190290
H -3.357112 0.736118 2.854537
H -1.374110 -0.755516 2.232942
H 0.087159 -1.403545 0.151408
H 0.955311 -1.620275 1.747240
H 0.752059 1.096866 2.621996
H 2.252617 -2.474709 -0.007120
H 3.222244 1.745552 0.010030
H 4.408677 -2.965587 -1.100516
H 5.403117 1.233581 -1.098568
H 6.447709 -0.663727 -2.793089
H 7.200884 -0.878558 -1.204269
H 6.496925 -2.262346 -2.045176


%chk=000218968-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218968

0 1
O 0.210266 1.604658 2.831616
O 1.412823 0.414900 0.619794
N -2.323351 0.577221 0.177272
C -2.275738 0.627241 -1.334347
C -3.726164 0.363558 0.667379
C -3.671297 0.047423 -1.751144
C -4.281090 -0.545791 -0.460851
C -1.401459 1.413216 0.960210
C -2.102489 2.062241 -1.918275
C -1.119117 -0.263225 -1.857664
C -4.562054 1.678633 0.778783
C -3.756296 -0.359168 2.034434
C -0.537295 0.641660 2.003061
C 0.423027 -0.376875 1.383605
C 2.502010 -0.264326 0.041685
C 2.676699 -1.667278 0.077063
C 3.456441 0.551833 -0.613962
C 3.813057 -2.238953 -0.543856
C 4.577626 -0.038064 -1.225671
C 4.781606 -1.445610 -1.202551
C 6.000947 -2.065572 -1.864186
H -3.568479 -0.703840 -2.553604
H -4.315655 0.856739 -2.141876
H -5.385550 -0.561785 -0.477533
H -3.922549 -1.579188 -0.298210
H -0.700349 1.929864 0.279796
H -1.926771 2.209161 1.530716
H -1.093266 2.470205 -1.724036
H -2.238717 2.037400 -3.015690
H -2.846805 2.759848 -1.493963
H -0.144948 0.084926 -1.468781
H -1.267512 -1.311616 -1.540987
H -1.071407 -0.235774 -2.963054
H -5.565045 1.463967 1.192326
H -4.074646 2.405733 1.454512
H -4.695236 2.162059 -0.204916
H -4.789556 -0.674511 2.271526
H -3.114347 -1.258179 2.011364
H -3.417118 0.299453 2.855459
H -1.190538 0.110200 2.713457
H -0.126151 -1.062186 0.711218
H 0.945657 -0.945032 2.177548
H 0.986622 1.906067 2.290024
H 1.947879 -2.316109 0.571259
H 3.302875 1.635600 -0.631992
H 3.941780 -3.327654 -0.511774
H 5.310519 0.604076 -1.729799
H 6.043758 -1.822572 -2.942797
H 6.939576 -1.694373 -1.410500
H 5.996521 -3.165200 -1.768987


